1-[(3,4-dimethoxyphenyl)methyl]-2-[4-(dimethylamino)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-[4-(dimethylamino)phenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
1-[(3,4-dimethoxyphenyl)methyl]-2-[4-(dimethylamino)phenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | C202-3524 |
| Compound Name: | 1-[(3,4-dimethoxyphenyl)methyl]-2-[4-(dimethylamino)phenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C27 H31 N3 O3 S |
| Smiles: | CN(C)c1ccc(cc1)C1NC(c2c3CCCCc3sc2N1Cc1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7946 |
| logD: | 4.7677 |
| logSw: | -4.7667 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.519 |
| InChI Key: | HYZKWPRMTLGVII-VWLOTQADSA-N |