1-[(2S,4R)-2-{7-[(4-chlorophenyl)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[(2S,4R)-2-{7-[(4-chlorophenyl)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
1-[(2S,4R)-2-{7-[(4-chlorophenyl)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S625-0776 |
| Compound Name: | 1-[(2S,4R)-2-{7-[(4-chlorophenyl)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 431.92 |
| Molecular Formula: | C21 H26 Cl N5 O3 |
| Smiles: | CC(C)C(N1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(Cc1ccc(cc1)[Cl])=O)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.4087 |
| logD: | 1.4087 |
| logSw: | -2.155 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.429 |
| InChI Key: | MBJZPQCGEKQYAZ-IRXDYDNUSA-N |