5-(2H-1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
5-(2H-1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0940 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 515.51 |
| Molecular Formula: | C24 H20 F3 N5 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1cc3NC(CC(C(F)(F)F)n3n1)c1ccc3c(c1)OCO3)=O)s2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.0896 |
| logD: | 3.8734 |
| logSw: | -5.292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.744 |
| InChI Key: | AVMDCHAVJVCKIN-UHFFFAOYSA-N |