propan-2-yl 4-ethyl-5-methyl-2-({1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazole-3-carbonyl}amino)thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-ethyl-5-methyl-2-({1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazole-3-carbonyl}amino)thiophene-3-carboxylate
propan-2-yl 4-ethyl-5-methyl-2-({1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazole-3-carbonyl}amino)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-4200 |
| Compound Name: | propan-2-yl 4-ethyl-5-methyl-2-({1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazole-3-carbonyl}amino)thiophene-3-carboxylate |
| Molecular Weight: | 547.56 |
| Molecular Formula: | C24 H24 F3 N7 O3 S |
| Smiles: | CCc1c(C(=O)OC(C)C)c(NC(c2ccn(c3nc(cc(C(F)(F)F)n3)c3cnn(C)c3)n2)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 4.8691 |
| logD: | 2.2403 |
| logSw: | -4.6752 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.833 |
| InChI Key: | CICCTYYKJQMHDU-UHFFFAOYSA-N |