TL;DR: 3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-phenyl- (CAS 112518-04-4) is a chemical compound with molecular formula C18H15N3O2S and molecular weight 337.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-methoxy-1,3-benzothiazol-2-yl)-6-phenyl-4,5-dihydropyridazin-3-one
Also Known As: 3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-phenyl-, 4,5-Dihydro-2-(6-methoxy-2-benzothiazolyl)-6-phenyl-3(2H)-pyridazinone, 2-(6-methoxy-1,3-benzothiazol-2-yl)-6-phenyl-4,5-dihydropyridazin-3-one, 2-(6-Methoxy-1,3-benzothiazol-2-yl)-6-phenyl-4,5-dihydropyridazin-3(2H)-one
| Molecular Formula | C18H15N3O2S |
| Molecular Weight | 337.0885 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.0885 Da |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
| SMILES | COC1=CC2=C(C=C1)N=C(S2)N3C(=O)CCC(=N3)C4=CC=CC=C4 |
| InChIKey | XAWPWDGSHDZPOL-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-phenyl-. Following Lipinski's Rule of Five, 3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-phenyl- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-phenyl- is 112518-04-4.
The molecular formula of 3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-phenyl- is C18H15N3O2S.
The molecular weight of 3(2H)-Pyridazinone, 4,5-dihydro-2-(6-methoxy-2-benzothiazolyl)-6-phenyl- is 337.0885 g/mol.
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