rel-(5R,7S)-3-bromo-5-(5-bromothiophen-2-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
rel-(5R,7S)-3-bromo-5-(5-bromothiophen-2-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
rel-(5R,7S)-3-bromo-5-(5-bromothiophen-2-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: | 3209-0652 |
| Compound Name: | rel-(5R,7S)-3-bromo-5-(5-bromothiophen-2-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: | 635.32 |
| Molecular Formula: | C21 H16 Br2 F3 N5 O S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1c(c3N[C@H](C[C@@H](C(F)(F)F)n3n1)c1ccc(s1)[Br])[Br])=O)s2 |
| Stereo: | RELATIVE |
| logP: | 6.2921 |
| logD: | 4.1605 |
| logSw: | -5.8637 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.941 |
| InChI Key: | SCJOHOPCOIZNDW-BXUZGUMPSA-N |