1-{3-[(2S,4S)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{3-[(2S,4S)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-methylpropan-1-one
1-{3-[(2S,4S)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S904-1300 |
| Compound Name: | 1-{3-[(2S,4S)-4-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-methylpropan-1-one |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C18 H24 N6 O4 |
| Smiles: | CC(C)C(N1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1C(c1c(C)nco1)=O)O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.7553 |
| logD: | -0.7553 |
| logSw: | -0.6823 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.871 |
| InChI Key: | VGENWKSOSUUXIO-OLZOCXBDSA-N |