N-(4-chlorophenyl)-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-(4-chlorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
N-(4-chlorophenyl)-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: | S336-0302 |
| Compound Name: | N-(4-chlorophenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide |
| Molecular Weight: | 320.78 |
| Molecular Formula: | C15 H17 Cl N4 O2 |
| Smiles: | C1CCC2=NN(CC(Nc3ccc(cc3)[Cl])=O)C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8384 |
| logD: | 2.8383 |
| logSw: | -3.5673 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.665 |
| InChI Key: | GLDIQLDVLQWZLY-UHFFFAOYSA-N |