4-(2H-1,3-benzodioxol-5-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
4-(2H-1,3-benzodioxol-5-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
Compound characteristics
| Compound ID: | 8019-6649 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C18 H17 N O3 S |
| Smiles: | C1CCc2c(C1)c1C(CC(Nc1s2)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.93 |
| logD: | 3.9248 |
| logSw: | -4.093 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.726 |
| InChI Key: | UIZHWBAJOXZVRM-LBPRGKRZSA-N |