TL;DR: 10H-Phenothiazine, 10-(((5-(((4-chlorophenyl)amino)methyl)tetrahydro-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)- (CAS 141177-52-8) is a chemical compound with molecular formula C31H24ClN5O3S2 and molecular weight 613.1009 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-chloroanilino)methyl]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 10H-Phenothiazine, 10-(((5-(((4-chlorophenyl)amino)methyl)tetrahydro-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)-, 4,6(1H,5H)-Pyrimidinedione,5-[[(4-chlorophenyl)amino]methyl]dihydro-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo-, 5-[(4-chloroanilino)methyl]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-[[(10H-Phenothiazin-10-yl)carbonylmethyl]amino]-3-phenyl-5-(4-chlorophenyl)aminomethyl-2,3-dihydro-2-thioxopyrimidine-4,6(1H,5H)-dione, 10H-Phenothiazine,10-(((5-(((4-chlorophenyl)amino)methyl)tetrahydro-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)
| Molecular Formula | C31H24ClN5O3S2 |
| Molecular Weight | 613.1009 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 613.1009 Da |
| Heavy Atoms | 42 |
| Complexity | 999.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C(C(=O)N(C2=S)NCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)CNC6=CC=C(C=C6)Cl |
| InChIKey | NJRWYRPKFROPLO-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that 10H-Phenothiazine, 10-(((5-(((4-chlorophenyl)amino)methyl)tetrahydro-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 10H-Phenothiazine, 10-(((5-(((4-chlorophenyl)amino)methyl)tetrahydro-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10H-Phenothiazine, 10-(((5-(((4-chlorophenyl)amino)methyl)tetrahydro-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)- has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 10H-Phenothiazine, 10-(((5-(((4-chlorophenyl)amino)methyl)tetrahydro-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)- is 141177-52-8.
The molecular formula of 10H-Phenothiazine, 10-(((5-(((4-chlorophenyl)amino)methyl)tetrahydro-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)- is C31H24ClN5O3S2.
The molecular weight of 10H-Phenothiazine, 10-(((5-(((4-chlorophenyl)amino)methyl)tetrahydro-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)- is 613.1009 g/mol.
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