ethyl 2-({1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazole-3-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazole-3-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazole-3-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-1753 |
| Compound Name: | ethyl 2-({1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazole-3-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 545.54 |
| Molecular Formula: | C24 H22 F3 N7 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccn(c2nc(cc(C(F)(F)F)n2)c2cnn(C)c2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3285 |
| logD: | 1.7202 |
| logSw: | -4.3838 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.075 |
| InChI Key: | AUADPSFYYONKOJ-UHFFFAOYSA-N |