N-(4-ethylphenyl)-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-ethylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(4-ethylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | S413-0328 |
Compound Name: | N-(4-ethylphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
Molecular Weight: | 377.49 |
Molecular Formula: | C23 H27 N3 O2 |
Smiles: | CCc1ccc(cc1)NC(c1ccc2C(N3CCCCCC3N(C)c2c1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.1812 |
logD: | 4.1812 |
logSw: | -4.1506 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.71 |
InChI Key: | LIAUONQJCSSMDI-NRFANRHFSA-N |