2-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]-N-(3-ethoxypropyl)hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]-N-(3-ethoxypropyl)hydrazine-1-carbothioamide
2-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]-N-(3-ethoxypropyl)hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y502-6363 |
| Compound Name: | 2-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]-N-(3-ethoxypropyl)hydrazine-1-carbothioamide |
| Molecular Weight: | 498.57 |
| Molecular Formula: | C22 H29 F3 N6 O2 S |
| Smiles: | CCOCCCNC(NNC(c1cc2NC(CC(C(F)(F)F)n2n1)c1ccc(C)c(C)c1)=O)=S |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8712 |
| logD: | 3.7206 |
| logSw: | -3.8877 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 84.106 |
| InChI Key: | SMMLMUQSGJILLV-UHFFFAOYSA-N |