rel-(5R,7S)-5-(3,4-dimethoxyphenyl)-N-[6-(1-hydroxyethyl)-2H-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-5-(3,4-dimethoxyphenyl)-N-[6-(1-hydroxyethyl)-2H-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-5-(3,4-dimethoxyphenyl)-N-[6-(1-hydroxyethyl)-2H-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | K610-0379 |
| Compound Name: | rel-(5R,7S)-5-(3,4-dimethoxyphenyl)-N-[6-(1-hydroxyethyl)-2H-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 534.49 |
| Molecular Formula: | C25 H25 F3 N4 O6 |
| Smiles: | CC(c1cc2c(cc1NC(c1cnn3c1N[C@H](C[C@H]3C(F)(F)F)c1ccc(c(c1)OC)OC)=O)OCO2)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2005 |
| logD: | 3.2004 |
| logSw: | -3.3833 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.294 |
| InChI Key: | UNQLKEWKYSJNIF-YKQHWSGMSA-N |