N-[(4-methoxyphenyl)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-methoxyphenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
N-[(4-methoxyphenyl)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: | S336-0315 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide |
| Molecular Weight: | 330.38 |
| Molecular Formula: | C17 H22 N4 O3 |
| Smiles: | COc1ccc(CNC(CN2C(N3CCCCCC3=N2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8038 |
| logD: | 1.8038 |
| logSw: | -2.3664 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.531 |
| InChI Key: | UPUYNTXWLZSMHL-UHFFFAOYSA-N |