2-amino-7,7-dimethyl-1-(3-methylphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-1-(3-methylphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-7,7-dimethyl-1-(3-methylphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-0196 |
| Compound Name: | 2-amino-7,7-dimethyl-1-(3-methylphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | Cc1cccc(c1)N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1ccc([N+]([O-])=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1701 |
| logD: | 4.1701 |
| logSw: | -4.5481 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.128 |
| InChI Key: | TXLHBDATXOSQBN-FQEVSTJZSA-N |