{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(3-methoxy-2-methylphenyl)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-methoxy-2-methylphenyl)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-methoxy-2-methylphenyl)methanone
Compound characteristics
| Compound ID: | S904-5327 |
| 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-methoxy-2-methylphenyl)methanone |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Smiles: | Cc1c(cccc1OC)C(N1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1Cc1ccccc1)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.797 |
| logD: | 1.7919 |
| logSw: | -2.5024 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.565 |
| InChI Key: | PTHVBJMLHGDWPZ-CTNGQTDRSA-N |