N-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | S413-0391 |
Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
Molecular Weight: | 437.54 |
Molecular Formula: | C25 H31 N3 O4 |
Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(NCc1ccc(c(c1)OC)OC)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1528 |
logD: | 3.1528 |
logSw: | -3.3965 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.252 |
InChI Key: | CSKBPZIXQNKHKU-QHCPKHFHSA-N |