TL;DR: (E)-3-(4-Methoxy-phenyl)-N-[N'-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-acrylamide (CAS 1164484-13-2) is a chemical compound with molecular formula C22H20N4O4S and molecular weight 436.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-methoxyphenyl)-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]prop-2-enamide
Also Known As: (E)-3-(4-Methoxy-phenyl)-N-[N'-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-acrylamide, (E)-3-(4-methoxyphenyl)-N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]prop-2-enamide, (2E)-3-(4-methoxyphenyl)-N-({2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]hydrazinyl}carbonothioyl)prop-2-enamide, (E)-3-(4-methoxyphenyl)-N-(2-(5-methyl-3-phenylisoxazole-4-carbonyl)hydrazinecarbonothioyl)acrylamide, (E)-3-(4-methoxyphenyl)-N-[[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]carbamothioyl]prop-2-enamide
| Molecular Formula | C22H20N4O4S |
| Molecular Weight | 436.1205 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.1205 Da |
| Heavy Atoms | 31 |
| Complexity | 660.0 |
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)/C=C/C3=CC=C(C=C3)OC |
| InChIKey | DCVHMNYYLOZYBF-JLHYYAGUSA-N |
The XLogP value of 4.0 indicates that (E)-3-(4-Methoxy-phenyl)-N-[N'-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-Methoxy-phenyl)-N-[N'-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-acrylamide. Following Lipinski's Rule of Five, (E)-3-(4-Methoxy-phenyl)-N-[N'-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-acrylamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-3-(4-Methoxy-phenyl)-N-[N'-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-acrylamide is 1164484-13-2.
The molecular formula of (E)-3-(4-Methoxy-phenyl)-N-[N'-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-acrylamide is C22H20N4O4S.
The molecular weight of (E)-3-(4-Methoxy-phenyl)-N-[N'-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-acrylamide is 436.1205 g/mol.
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