7-methyl-4-(3,4,5-trimethoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
Chemical Structure Depiction of
7-methyl-4-(3,4,5-trimethoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
7-methyl-4-(3,4,5-trimethoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
Compound characteristics
| Compound ID: | 8019-6666 |
| Compound Name: | 7-methyl-4-(3,4,5-trimethoxyphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C21 H25 N O4 S |
| Smiles: | CC1CCc2c3C(CC(Nc3sc2C1)=O)c1cc(c(c(c1)OC)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1331 |
| logD: | 4.1279 |
| logSw: | -4.2175 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.589 |
| InChI Key: | XLQWDCOKSPZSMJ-UHFFFAOYSA-N |