N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
N-(3,5-dimethylphenyl)-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: | S336-0298 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide |
| Molecular Weight: | 314.39 |
| Molecular Formula: | C17 H22 N4 O2 |
| Smiles: | Cc1cc(C)cc(c1)NC(CN1C(N2CCCCCC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9366 |
| logD: | 2.9366 |
| logSw: | -3.0382 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.665 |
| InChI Key: | JPFCRZDFMPTYKO-UHFFFAOYSA-N |