3-{2-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{2-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-{2-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y502-0184 |
| Compound Name: | 3-{2-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 432.39 |
| Molecular Formula: | C17 H16 F4 N4 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(CC(N3C(CC(C(F)F)=N3)(C(F)F)O)=O)C=Nc1s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3002 |
| logD: | 1.3002 |
| logSw: | -1.663 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.457 |
| InChI Key: | BZOMDQYLECEEMD-KRWDZBQOSA-N |