2-amino-1,4-bis(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1,4-bis(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1,4-bis(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-4330 |
| Compound Name: | 2-amino-1,4-bis(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 431.41 |
| Molecular Formula: | C22 H17 N5 O5 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2cccc(c2)[N+]([O-])=O)c2cccc(c2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8068 |
| logD: | 2.8068 |
| logSw: | -3.2932 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.14 |
| InChI Key: | PVTRSCRHYDFGNM-FQEVSTJZSA-N |