(3R,5S)-1-benzyl-5-{7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
Chemical Structure Depiction of
(3R,5S)-1-benzyl-5-{7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
(3R,5S)-1-benzyl-5-{7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
Compound characteristics
| Compound ID: | S625-0601 |
| Compound Name: | (3R,5S)-1-benzyl-5-{7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol |
| Molecular Weight: | 431.54 |
| Molecular Formula: | C25 H29 N5 O2 |
| Smiles: | C1COc2ccc(CN3CCn4c(C3)nnc4[C@@H]3C[C@H](CN3Cc3ccccc3)O)cc12 |
| Stereo: | ABSOLUTE |
| logP: | 1.802 |
| logD: | 1.7957 |
| logSw: | -1.9233 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.257 |
| InChI Key: | AFWWUSSPBWISPZ-VXKWHMMOSA-N |