2-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
2-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 8018-9498 |
| Compound Name: | 2-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 384.89 |
| Molecular Formula: | C19 H17 Cl N4 O S |
| Smiles: | C1CCc2c(C1)c1C(NC(c3c[nH]nc3c3ccc(cc3)[Cl])Nc1s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7814 |
| logD: | 3.7814 |
| logSw: | -4.9822 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.39 |
| InChI Key: | PWPUXSGFVYNZGM-QGZVFWFLSA-N |