N-(2,4-dimethylphenyl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(2,4-dimethylphenyl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | S413-0125 |
Compound Name: | N-(2,4-dimethylphenyl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
Molecular Weight: | 391.51 |
Molecular Formula: | C24 H29 N3 O2 |
Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(Nc1ccc(C)cc1C)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.5528 |
logD: | 4.5528 |
logSw: | -4.1835 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.972 |
InChI Key: | ITKVUIIPKOIXEC-QFIPXVFZSA-N |