2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide
2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-6340 |
| Compound Name: | 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]-N-[(oxolan-2-yl)methyl]hydrazine-1-carbothioamide |
| Molecular Weight: | 498.53 |
| Molecular Formula: | C21 H25 F3 N6 O3 S |
| Smiles: | COc1ccc(cc1)C1CC(C(F)(F)F)n2c(c(cn2)C(NNC(NCC2CCCO2)=S)=O)N1 |
| Stereo: | MIXTURE OF ISOMERS |
| logP: | 2.5289 |
| logD: | 2.1402 |
| logSw: | -2.7537 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 89.962 |
| InChI Key: | DJKSIFPGPJSHJP-UHFFFAOYSA-N |