N~1~-ethyl-N~1~-(2-ethylphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Chemical Structure Depiction of
N~1~-ethyl-N~1~-(2-ethylphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
N~1~-ethyl-N~1~-(2-ethylphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
Compound characteristics
| Compound ID: | C909-0221 |
| Compound Name: | N~1~-ethyl-N~1~-(2-ethylphenyl)-N~2~-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C25 H28 N4 O3 |
| Smiles: | CCc1ccccc1N(CC)C(C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8329 |
| logD: | 3.8267 |
| logSw: | -3.8526 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.129 |
| InChI Key: | ZZLOTFATRAWNNY-UHFFFAOYSA-N |