2-{[1-(3,4-dimethoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[1-(3,4-dimethoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}benzonitrile
2-{[1-(3,4-dimethoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | G535-1293 |
| Compound Name: | 2-{[1-(3,4-dimethoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridin-2(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C27 H28 N2 O2 S |
| Smiles: | COc1ccc(cc1OC)C1c2c(CCN1Cc1ccccc1C#N)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9329 |
| logD: | 3.6731 |
| logSw: | -5.6531 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.367 |
| InChI Key: | ZHMYFFHNMLYBPX-AREMUKBSSA-N |