1-[(2S,4R)-4-hydroxy-2-(7-{[4-(trifluoromethyl)phenyl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[(2S,4R)-4-hydroxy-2-(7-{[4-(trifluoromethyl)phenyl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
1-[(2S,4R)-4-hydroxy-2-(7-{[4-(trifluoromethyl)phenyl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S625-0783 |
| Compound Name: | 1-[(2S,4R)-4-hydroxy-2-(7-{[4-(trifluoromethyl)phenyl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 437.46 |
| Molecular Formula: | C21 H26 F3 N5 O2 |
| Smiles: | CC(C)C(N1C[C@@H](C[C@H]1c1nnc2CN(CCn12)Cc1ccc(cc1)C(F)(F)F)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8392 |
| logD: | 1.8364 |
| logSw: | -2.1205 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.041 |
| InChI Key: | FKDOMSZKSWFUFF-IRXDYDNUSA-N |