2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-benzylacetamide
Chemical Structure Depiction of
2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-benzylacetamide
2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-benzylacetamide
Compound characteristics
| Compound ID: | P573-2397 |
| Compound Name: | 2-[7-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N-benzylacetamide |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C20 H24 N6 O2 |
| Smiles: | C1CCCN(CC1)C1C=CN2C(N=1)=NN(CC(NCc1ccccc1)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.9729 |
| logD: | 1.9724 |
| logSw: | -2.3027 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.858 |
| InChI Key: | OSGUACIOWQEGON-UHFFFAOYSA-N |