TL;DR: Azetidine, 3-methoxy-1-((7-oxo-8-phenyl-7H-pyrido(1,2-b)thieno(2,3-d)pyridazin-10-yl)carbonyl)- (CAS 110924-90-8) is a chemical compound with molecular formula C21H17N3O3S and molecular weight 391.09906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
13-(3-methoxyazetidine-1-carbonyl)-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,7,11-pentaen-10-one
Also Known As: Azetidine, 3-methoxy-1-((7-oxo-8-phenyl-7H-pyrido(1,2-b)thieno(2,3-d)pyridazin-10-yl)carbonyl)-, 3-Methoxy-1-((7-oxo-8-phenyl-7H-pyrido(1,2-b)thieno(2,3-d)pyridazin-10-yl)carbonyl)azetidine, 10-(3-Methoxyazetidine-1-carbonyl)-8-phenyl-7H-pyrido[1,2-b]thieno[2,3-d]pyridazin-7-one
| Molecular Formula | C21H17N3O3S |
| Molecular Weight | 391.09906 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.09906 Da |
| Heavy Atoms | 28 |
| Complexity | 778.0 |
| SMILES | COC1CN(C1)C(=O)C2=C3C4=C(C=CS4)C=NN3C(=O)C(=C2)C5=CC=CC=C5 |
| InChIKey | CMLWYJJXQXLJTA-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azetidine, 3-methoxy-1-((7-oxo-8-phenyl-7H-pyrido(1,2-b)thieno(2,3-d)pyridazin-10-yl)carbonyl)-. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Azetidine, 3-methoxy-1-((7-oxo-8-phenyl-7H-pyrido(1,2-b)thieno(2,3-d)pyridazin-10-yl)carbonyl)-. Following Lipinski's Rule of Five, Azetidine, 3-methoxy-1-((7-oxo-8-phenyl-7H-pyrido(1,2-b)thieno(2,3-d)pyridazin-10-yl)carbonyl)- 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 Azetidine, 3-methoxy-1-((7-oxo-8-phenyl-7H-pyrido(1,2-b)thieno(2,3-d)pyridazin-10-yl)carbonyl)- is 110924-90-8.
The molecular formula of Azetidine, 3-methoxy-1-((7-oxo-8-phenyl-7H-pyrido(1,2-b)thieno(2,3-d)pyridazin-10-yl)carbonyl)- is C21H17N3O3S.
The molecular weight of Azetidine, 3-methoxy-1-((7-oxo-8-phenyl-7H-pyrido(1,2-b)thieno(2,3-d)pyridazin-10-yl)carbonyl)- is 391.09906 g/mol.
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