2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-4870 |
| Compound Name: | 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2c(C#N)c3CCCCc3s2)c2ccc(cc2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5638 |
| logD: | 4.5638 |
| logSw: | -4.7757 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.804 |
| InChI Key: | VLPCKRKOSZBLJJ-QHCPKHFHSA-N |