2-[7,7-dimethyl-4-(3-methylphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-[7,7-dimethyl-4-(3-methylphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-0911 |
| Compound Name: | 2-[7,7-dimethyl-4-(3-methylphenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C28 H30 N2 O2 S |
| Smiles: | Cc1cccc(c1)C1CC(N(C2CC(C)(C)CC(C1=2)=O)c1c(C#N)c2CCCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7447 |
| logD: | 5.7447 |
| logSw: | -5.3395 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.963 |
| InChI Key: | DWXLBRPSSMKUAS-HXUWFJFHSA-N |