2-(7,7-dimethyl-2,5-dioxo-4-phenyl-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-2,5-dioxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-(7,7-dimethyl-2,5-dioxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-7081 |
| Compound Name: | 2-(7,7-dimethyl-2,5-dioxo-4-phenyl-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C26 H26 N2 O2 S |
| Smiles: | CC1(C)CC2=C(C(CC(N2c2c(C#N)c3CCCCc3s2)=O)c2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6783 |
| logD: | 4.6783 |
| logSw: | -4.6537 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.632 |
| InChI Key: | IHGYYADFBJAGFF-GOSISDBHSA-N |