rel-(5R,7S)-3-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-3-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0875 |
| Compound Name: | rel-(5R,7S)-3-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 526 |
| Molecular Formula: | C22 H19 Cl F3 N5 O S2 |
| Smiles: | CC1CCc2c(C#N)c(NC(c3c(c4N[C@H](C[C@@H](C(F)(F)F)n4n3)c3cccs3)[Cl])=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7105 |
| logD: | 3.5789 |
| logSw: | -6.1073 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.941 |
| InChI Key: | XUHHBDMKAPSNPI-NKRLSEITSA-N |