2-{1-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{1-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{1-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8014-2863 |
| Compound Name: | 2-{1-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1H-pyrazol-4-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 525.43 |
| Molecular Formula: | C26 H19 Cl2 F N4 O S |
| Smiles: | C1CCc2c(C1)c1C(NC(c3cn(Cc4ccc(cc4[Cl])[Cl])nc3c3ccc(cc3)F)=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4973 |
| logD: | 6.4961 |
| logSw: | -6.6127 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.495 |
| InChI Key: | RHEBBHCVOBYWQK-UHFFFAOYSA-N |