2-amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-4-(2-methylthiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-4-(2-methylthiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-4-(2-methylthiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0065 |
| Compound Name: | 2-amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-4-(2-methylthiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C23 H21 Cl N4 O3 S |
| Smiles: | Cc1c(ccs1)C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1ccc(cc1[Cl])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4917 |
| logD: | 4.4917 |
| logSw: | -4.5955 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.476 |
| InChI Key: | NDVAAUVMCGLEIT-FQEVSTJZSA-N |