4-chloro-3-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide
Chemical Structure Depiction of
4-chloro-3-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide
4-chloro-3-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide
Compound characteristics
| Compound ID: | C803-0291 |
| Compound Name: | 4-chloro-3-nitro-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)benzamide |
| Molecular Weight: | 412.83 |
| Molecular Formula: | C20 H17 Cl N4 O4 |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1564 |
| logD: | 3.1312 |
| logSw: | -3.8778 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.892 |
| InChI Key: | SCKQCMBSYGCVOM-UHFFFAOYSA-N |