1-{3-[(2S,4S)-4-hydroxy-1-(5-methylthiophene-2-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-(5-methylthiophene-2-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-(5-methylthiophene-2-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: | S904-1267 |
| Compound Name: | 1-{3-[(2S,4S)-4-hydroxy-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-methylpropan-1-one |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C19 H25 N5 O3 S |
| Smiles: | CC(C)C(N1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1C(c1ccc(C)s1)=O)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1958 |
| logD: | 1.1958 |
| logSw: | -2.1555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.975 |
| InChI Key: | DCFFQVDQUINYEI-KGLIPLIRSA-N |