7-tert-butyl-4-(3,4-dimethoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
Chemical Structure Depiction of
7-tert-butyl-4-(3,4-dimethoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
7-tert-butyl-4-(3,4-dimethoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
Compound characteristics
| Compound ID: | 8019-7659 |
| Compound Name: | 7-tert-butyl-4-(3,4-dimethoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C23 H29 N O3 S |
| Smiles: | CC(C)(C)C1CCc2c3C(CC(Nc3sc2C1)=O)c1ccc(c(c1)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1891 |
| logD: | 5.1839 |
| logSw: | -5.0989 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.871 |
| InChI Key: | PWNDFEXBXGJYJS-UHFFFAOYSA-N |