N-[(2-chlorophenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
N-[(2-chlorophenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
Compound characteristics
| Compound ID: | S336-0231 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide |
| Molecular Weight: | 334.8 |
| Molecular Formula: | C16 H19 Cl N4 O2 |
| Smiles: | C1CCC2=NN(CC(NCc3ccccc3[Cl])=O)C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6034 |
| logD: | 2.6034 |
| logSw: | -3.2054 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.987 |
| InChI Key: | USXQIACACFORJK-UHFFFAOYSA-N |