3-(2-{3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-(2-{3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
3-(2-{3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | S625-0209 |
| Compound Name: | 3-(2-{3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C21 H26 N6 O4 |
| Smiles: | CC(C)N1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(CN1C(=O)Oc2ccccc12)=O)O |
| Stereo: | ABSOLUTE |
| logP: | 0.2178 |
| logD: | 0.0812 |
| logSw: | -1.5278 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.666 |
| InChI Key: | QKEYVSOTPZTHGZ-HOCLYGCPSA-N |