N-[(2-chloro-4-fluorophenyl)methyl]-2-[3-oxo-7-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3-oxo-7-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3-oxo-7-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P573-2599 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-2-[3-oxo-7-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 404.83 |
| Molecular Formula: | C18 H18 Cl F N6 O2 |
| Smiles: | C1CCN(C1)C1C=CN2C(N=1)=NN(CC(NCc1ccc(cc1[Cl])F)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.2076 |
| logD: | 2.2076 |
| logSw: | -3.2596 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.893 |
| InChI Key: | UNBUWLIHIUKCRU-UHFFFAOYSA-N |