1-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
1-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | C202-3523 |
| Compound Name: | 1-[(3,4-dimethoxyphenyl)methyl]-2-phenyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C25 H26 N2 O3 S |
| Smiles: | COc1ccc(CN2C(c3ccccc3)NC(c3c4CCCCc4sc23)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7089 |
| logD: | 4.7089 |
| logSw: | -4.6281 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.714 |
| InChI Key: | QLSAHNZCZNWLCS-QHCPKHFHSA-N |