2-[4-(3-chlorophenyl)-7,7-dimethyl-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-(3-chlorophenyl)-7,7-dimethyl-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-(3-chlorophenyl)-7,7-dimethyl-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: | 8016-7784 |
| Compound Name: | 2-[4-(3-chlorophenyl)-7,7-dimethyl-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: | 479.04 |
| Molecular Formula: | C27 H27 Cl N2 O2 S |
| Smiles: | CC1(C)CC2=C(C(CC(N2c2c(C#N)c3CCCCCc3s2)=O)c2cccc(c2)[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8095 |
| logD: | 5.8095 |
| logSw: | -6.0416 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.963 |
| InChI Key: | RIKASQCFCPYGCU-IBGZPJMESA-N |