N-(2-methoxy-5-nitrophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(2-methoxy-5-nitrophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0412 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C21 H20 N4 O5 |
| Smiles: | COc1ccc(cc1NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5716 |
| logD: | 1.9345 |
| logSw: | -3.2369 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.125 |
| InChI Key: | FNQZNBDZTAWMSM-UHFFFAOYSA-N |