2-[7,7-dimethyl-4-(3-methylphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-[7,7-dimethyl-4-(3-methylphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[7,7-dimethyl-4-(3-methylphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-7082 |
| Compound Name: | 2-[7,7-dimethyl-4-(3-methylphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C27 H28 N2 O2 S |
| Smiles: | Cc1cccc(c1)C1CC(N(C2CC(C)(C)CC(C1=2)=O)c1c(C#N)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2488 |
| logD: | 5.2488 |
| logSw: | -5.1011 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.632 |
| InChI Key: | QTVPNSUSRZFCHD-LJQANCHMSA-N |