5-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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: | 3209-1388 |
| Compound Name: | 5-(4-chlorophenyl)-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: | 505.95 |
| Molecular Formula: | C23 H19 Cl F3 N5 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1cc3NC(CC(C(F)(F)F)n3n1)c1ccc(cc1)[Cl])=O)s2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.811 |
| logD: | 4.5948 |
| logSw: | -6.4797 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.629 |
| InChI Key: | DGTKNMRAEYNLCI-UHFFFAOYSA-N |