1-[3-{(2S,4S)-1-[(4-chlorophenyl)methyl]-4-hydroxypyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[3-{(2S,4S)-1-[(4-chlorophenyl)methyl]-4-hydroxypyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one
1-[3-{(2S,4S)-1-[(4-chlorophenyl)methyl]-4-hydroxypyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S904-1253 |
| Compound Name: | 1-[3-{(2S,4S)-1-[(4-chlorophenyl)methyl]-4-hydroxypyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 403.91 |
| Molecular Formula: | C20 H26 Cl N5 O2 |
| Smiles: | CC(C)C(N1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1Cc1ccc(cc1)[Cl])O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5414 |
| logD: | 1.54 |
| logSw: | -2.2508 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.207 |
| InChI Key: | VOZFMWABSGUHDK-SJORKVTESA-N |