2-amino-1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7970 |
| Compound Name: | 2-amino-1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 472.92 |
| Molecular Formula: | C22 H18 Cl F N4 O3 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(c(c2)[Cl])F)c2ccc([N+]([O-])=O)s2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2665 |
| logD: | 4.2665 |
| logSw: | -4.5442 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.128 |
| InChI Key: | PXLJEHRMTNHMFR-LJQANCHMSA-N |