12-oxo-N-[4-(propan-2-yl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
12-oxo-N-[4-(propan-2-yl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
12-oxo-N-[4-(propan-2-yl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0433 |
| Compound Name: | 12-oxo-N-[4-(propan-2-yl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C23 H25 N3 O2 |
| Smiles: | CC(C)c1ccc(cc1)NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1201 |
| logD: | 4.1199 |
| logSw: | -4.2029 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.811 |
| InChI Key: | WDBCYHWFXZRFAQ-UHFFFAOYSA-N |