4-methoxy-3-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide
Chemical Structure Depiction of
4-methoxy-3-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide
4-methoxy-3-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide
Compound characteristics
| Compound ID: | C803-0294 |
| Compound Name: | 4-methoxy-3-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C21 H20 N4 O5 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.44 |
| logD: | 2.4384 |
| logSw: | -3.1051 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.522 |
| InChI Key: | DZJRWEOROCPMAZ-UHFFFAOYSA-N |