rel-(5R,7S)-3-chloro-N-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-chloro-N-(5-chloro-2-methoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0632 |
| Compound Name: | rel-(5R,7S)-3-chloro-N-(5-chloro-2-methoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 491.32 |
| Molecular Formula: | C19 H15 Cl2 F3 N4 O2 S |
| Smiles: | COc1ccc(cc1NC(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1cccs1)[Cl])=O)[Cl] |
| Stereo: | RELATIVE |
| logP: | 5.0714 |
| logD: | 5.0263 |
| logSw: | -5.3609 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.103 |
| InChI Key: | KIVFFJOXZJLATH-BXUZGUMPSA-N |