3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
Chemical Structure Depiction of
3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y500-1433 |
| Compound Name: | 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide |
| Molecular Weight: | 518.35 |
| Molecular Formula: | C19 H19 Br F3 N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(CCn1c(C)c(c(C(F)(F)F)n1)[Br])=O)=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 2.8442 |
| logD: | 2.8441 |
| logSw: | -3.1721 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.122 |
| InChI Key: | CKNFVTURRLDQJE-UHFFFAOYSA-N |