{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(3,5-dimethylphenyl)methanone
Chemical Structure Depiction of
{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(3,5-dimethylphenyl)methanone
{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(3,5-dimethylphenyl)methanone
Compound characteristics
| Compound ID: | S904-5300 |
| Compound Name: | {3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(3,5-dimethylphenyl)methanone |
| Molecular Weight: | 431.54 |
| Molecular Formula: | C25 H29 N5 O2 |
| Smiles: | Cc1cc(C)cc(c1)C(N1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1Cc1ccccc1)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0678 |
| logD: | 2.0628 |
| logSw: | -2.6104 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.935 |
| InChI Key: | RWCLHZLPEPVVRL-YADHBBJMSA-N |