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 |