6-chloro-3-(2-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-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
6-chloro-3-(2-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
6-chloro-3-(2-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-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: | S625-6152 |
| Compound Name: | 6-chloro-3-(2-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-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: | 432.87 |
| Molecular Formula: | C19 H21 Cl N6 O4 |
| Smiles: | CN1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(CN1C(=O)Oc2cc(ccc12)[Cl])=O)O |
| Stereo: | ABSOLUTE |
| logP: | -0.0745 |
| logD: | -0.1209 |
| logSw: | -2.0604 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.494 |
| InChI Key: | ROABGYUOIRDRRJ-JSGCOSHPSA-N |