N-(4-bromo-3-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(4-bromo-3-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C066-3387 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 426.31 |
| Molecular Formula: | C21 H20 Br N3 O2 |
| Smiles: | Cc1cc(ccc1[Br])NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9564 |
| logD: | 3.9514 |
| logSw: | -4.0528 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.811 |
| InChI Key: | YROSJDMEMPADDP-UHFFFAOYSA-N |