5-(4-chlorophenyl)-N-(3-cyano-6-methyl-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-6-methyl-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-6-methyl-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: | K610-0158 |
| Compound Name: | 5-(4-chlorophenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 519.98 |
| Molecular Formula: | C24 H21 Cl F3 N5 O S |
| Smiles: | CC1CCc2c(C#N)c(NC(c3cc4NC(CC(C(F)(F)F)n4n3)c3ccc(cc3)[Cl])=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2449 |
| logD: | 5.0287 |
| logSw: | -6.4513 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.629 |
| InChI Key: | RIWATRRJNVBRFP-UHFFFAOYSA-N |