(3R,5S)-1-benzyl-5-{7-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
Chemical Structure Depiction of
(3R,5S)-1-benzyl-5-{7-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
(3R,5S)-1-benzyl-5-{7-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
Compound characteristics
| Compound ID: | S625-0582 |
| Compound Name: | (3R,5S)-1-benzyl-5-{7-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C23 H25 F2 N5 O |
| Smiles: | C1[C@@H](c2nnc3CN(CCn23)Cc2ccc(cc2F)F)N(Cc2ccccc2)C[C@@H]1O |
| Stereo: | ABSOLUTE |
| logP: | 2.1375 |
| logD: | 2.1312 |
| logSw: | -2.1091 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.019 |
| InChI Key: | ZNOQPXCLFYOFJY-FPOVZHCZSA-N |