N-[(4-methylphenyl)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-[(4-methylphenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
N-[(4-methylphenyl)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: | S336-0267 |
| Compound Name: | N-[(4-methylphenyl)methyl]-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: | Cc1ccc(CNC(CN2C(N3CCCCCC3=N2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2448 |
| logD: | 2.2448 |
| logSw: | -2.7595 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.987 |
| InChI Key: | AVGYUUNWZNZUKZ-UHFFFAOYSA-N |