5-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
5-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
5-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | S420-0323 |
Compound Name: | 5-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide |
Molecular Weight: | 395.52 |
Molecular Formula: | C22 H25 N3 O2 S |
Smiles: | CN1C2CCCCN2C(c2ccc(cc12)C(NCc1ccc(cc1)SC)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1398 |
logD: | 3.1398 |
logSw: | -3.5891 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.701 |
InChI Key: | IFKXMFFITMMXFY-FQEVSTJZSA-N |