N-(4-chloro-3-methylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-chloro-3-methylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(4-chloro-3-methylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | S413-0522 |
Compound Name: | N-(4-chloro-3-methylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
Molecular Weight: | 397.9 |
Molecular Formula: | C22 H24 Cl N3 O2 |
Smiles: | Cc1cc(ccc1[Cl])NC(c1ccc2C(N3CCCCCC3N(C)c2c1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.4809 |
logD: | 4.4808 |
logSw: | -4.5847 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.71 |
InChI Key: | GLVXDNVSFXLZLB-FQEVSTJZSA-N |