2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | P573-2405 |
| Compound Name: | 2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C20 H23 F N6 O2 |
| Smiles: | C1CCCN(CC1)C1C=CN2C(N=1)=NN(CC(NCc1ccc(cc1)F)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.0019 |
| logD: | 2.0015 |
| logSw: | -2.4911 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.858 |
| InChI Key: | FOECIOZWUYYHIN-UHFFFAOYSA-N |