(5-chloro-2-methoxyphenyl){3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone
Chemical Structure Depiction of
(5-chloro-2-methoxyphenyl){3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone
(5-chloro-2-methoxyphenyl){3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone
Compound characteristics
| Compound ID: | S625-2097 |
| Compound Name: | (5-chloro-2-methoxyphenyl){3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone |
| Molecular Weight: | 391.86 |
| Molecular Formula: | C18 H22 Cl N5 O3 |
| Smiles: | CN1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(c1cc(ccc1OC)[Cl])=O)O |
| Stereo: | ABSOLUTE |
| logP: | 0.2072 |
| logD: | 0.1608 |
| logSw: | -2.3023 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.552 |
| InChI Key: | YKMFDAQMNMMUJP-JSGCOSHPSA-N |