2-[4-(2,4-dichlorophenyl)-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-[4-(2,4-dichlorophenyl)-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-[4-(2,4-dichlorophenyl)-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: | 8016-7909 |
| Compound Name: | 2-[4-(2,4-dichlorophenyl)-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: | 485.43 |
| Molecular Formula: | C25 H22 Cl2 N2 O2 S |
| Smiles: | C1CCc2c(C#N)c(N3C4CCCC(C=4C(CC3=O)c3ccc(cc3[Cl])[Cl])=O)sc2CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0438 |
| logD: | 6.0438 |
| logSw: | -6.4468 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.963 |
| InChI Key: | IRRYBBZTZWNSRV-KRWDZBQOSA-N |