2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2-chloro-4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2-chloro-4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2-chloro-4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y508-8342 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2-chloro-4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 464.86 |
| Molecular Formula: | C23 H17 Cl N4 O5 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2[Cl])[N+]([O-])=O)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5522 |
| logD: | 3.5522 |
| logSw: | -4.189 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.573 |
| InChI Key: | GIYBMZBKUZNBOU-NRFANRHFSA-N |