N-(3-nitrophenyl)-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-(3-nitrophenyl)-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
N-(3-nitrophenyl)-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 5773-0052 |
| Compound Name: | N-(3-nitrophenyl)-2,5-dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | C1CC2=C(C=C(C(Nc3cccc(c3)[N+]([O-])=O)=O)C(N2c2ccccc2)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8349 |
| logD: | 2.0146 |
| logSw: | -3.5233 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.053 |
| InChI Key: | NNYWYRJAFDUXPD-UHFFFAOYSA-N |