1-{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-cyclohexylpropan-1-one
Chemical Structure Depiction of
1-{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-cyclohexylpropan-1-one
1-{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-cyclohexylpropan-1-one
Compound characteristics
| Compound ID: | S904-0458 |
| Compound Name: | 1-{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-cyclohexylpropan-1-one |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C25 H35 N5 O2 |
| Smiles: | C1CCC(CC1)CCC(N1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1Cc1ccccc1)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6325 |
| logD: | 2.6275 |
| logSw: | -2.7072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.6 |
| InChI Key: | XQSLOIJEKOOVKI-YADHBBJMSA-N |