ethyl N-(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)-beta-alaninate
ethyl N-(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)-beta-alaninate
Compound characteristics
Compound ID: | S413-0542 |
Compound Name: | ethyl N-(5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carbonyl)-beta-alaninate |
Molecular Weight: | 387.48 |
Molecular Formula: | C21 H29 N3 O4 |
Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(NCCC(=O)OCC)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.1698 |
logD: | 2.1698 |
logSw: | -2.9307 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.263 |
InChI Key: | ADJNGAMENMJURL-SFHVURJKSA-N |