2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-phenylacetamide
Chemical Structure Depiction of
2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-phenylacetamide
2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-phenylacetamide
Compound characteristics
| Compound ID: | S336-0297 |
| Compound Name: | 2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-phenylacetamide |
| Molecular Weight: | 286.33 |
| Molecular Formula: | C15 H18 N4 O2 |
| Smiles: | C1CCC2=NN(CC(Nc3ccccc3)=O)C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0519 |
| logD: | 2.0519 |
| logSw: | -2.6504 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.665 |
| InChI Key: | FOTXQKODWAZIBM-UHFFFAOYSA-N |