N-cyclohexyl-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-cyclohexyl-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | S413-0091 |
Compound Name: | N-cyclohexyl-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
Molecular Weight: | 369.51 |
Molecular Formula: | C22 H31 N3 O2 |
Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(NC1CCCCC1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8706 |
logD: | 3.8706 |
logSw: | -3.9618 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.717 |
InChI Key: | GZQDSXLUVZEFDJ-FQEVSTJZSA-N |