N-butyl-2-{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl}hydrazine-1-carbothioamide
Chemical Structure Depiction of
N-butyl-2-{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl}hydrazine-1-carbothioamide
N-butyl-2-{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl}hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-6684 |
| Compound Name: | N-butyl-2-{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl}hydrazine-1-carbothioamide |
| Molecular Weight: | 482.57 |
| Molecular Formula: | C22 H29 F3 N6 O S |
| Smiles: | CCCCNC(NNC(c1cc2NC(CC(C(F)(F)F)n2n1)c1ccc(cc1)C(C)C)=O)=S |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.0469 |
| logD: | 4.8962 |
| logSw: | -4.6344 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 76.129 |
| InChI Key: | KJDXZFSEFQLKQD-UHFFFAOYSA-N |