2-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
2-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | C202-3520 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C27 H30 N2 O5 S |
| Smiles: | COc1ccc(CN2C(c3ccc(c(c3)OC)OC)NC(c3c4CCCCc4sc23)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3368 |
| logD: | 4.3368 |
| logSw: | -4.5328 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.975 |
| InChI Key: | QXLPTLGJNDATOV-VWLOTQADSA-N |