3-(benzenesulfonyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanamide
Chemical Structure Depiction of
3-(benzenesulfonyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanamide
3-(benzenesulfonyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanamide
Compound characteristics
| Compound ID: | C803-0312 |
| Compound Name: | 3-(benzenesulfonyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)propanamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(CCS(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9956 |
| logD: | 1.9955 |
| logSw: | -3.192 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.634 |
| InChI Key: | NTTAQTHIKROWNL-UHFFFAOYSA-N |