4-(2H-1,3-benzodioxol-5-yl)-7-tert-butyl-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)-7-tert-butyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
4-(2H-1,3-benzodioxol-5-yl)-7-tert-butyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
Compound characteristics
| Compound ID: | 8019-7989 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-7-tert-butyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C22 H25 N O3 S |
| Smiles: | CC(C)(C)C1CCc2c3C(CC(Nc3sc2C1)=O)c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4873 |
| logD: | 5.4821 |
| logSw: | -5.47 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.726 |
| InChI Key: | UBYQGQKUABVZBL-UHFFFAOYSA-N |