(3R,5S)-5-[7-(3,5-difluorobenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol
Chemical Structure Depiction of
(3R,5S)-5-[7-(3,5-difluorobenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol
(3R,5S)-5-[7-(3,5-difluorobenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol
Compound characteristics
| Compound ID: | S625-2070 |
| Compound Name: | (3R,5S)-5-[7-(3,5-difluorobenzene-1-sulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1-methylpyrrolidin-3-ol |
| Molecular Weight: | 399.42 |
| Molecular Formula: | C16 H19 F2 N5 O3 S |
| Smiles: | CN1C[C@@H](C[C@H]1c1nnc2CN(CCn12)S(c1cc(cc(c1)F)F)(=O)=O)O |
| Stereo: | ABSOLUTE |
| logP: | 0.0339 |
| logD: | -0.0238 |
| logSw: | -1.5035 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.984 |
| InChI Key: | ZSPCBLRTBDQVST-JSGCOSHPSA-N |