3-phenyl-2-{[(1-phenyl-1H-pyrazol-4-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-phenyl-2-{[(1-phenyl-1H-pyrazol-4-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-phenyl-2-{[(1-phenyl-1H-pyrazol-4-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8017-3798 |
| Compound Name: | 3-phenyl-2-{[(1-phenyl-1H-pyrazol-4-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 470.61 |
| Molecular Formula: | C26 H22 N4 O S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCc1cnn(c1)c1ccccc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3366 |
| logD: | 5.3366 |
| logSw: | -5.5003 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.34 |
| InChI Key: | PCBCSSYMHKGSKB-UHFFFAOYSA-N |