N-{2-[4-(methylsulfanyl)phenyl]ethyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0657 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C23 H25 N3 O2 S |
| Smiles: | CSc1ccc(CCNC(c2ccc3C(N4CCCCCC4=Nc3c2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1006 |
| logD: | 3.1006 |
| logSw: | -3.5786 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.975 |
| InChI Key: | JKGCYIGQROPRGB-UHFFFAOYSA-N |