N-[(2,3-dimethoxyphenyl)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-[(2,3-dimethoxyphenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
N-[(2,3-dimethoxyphenyl)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: | S336-0322 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C18 H24 N4 O4 |
| Smiles: | COc1cccc(CNC(CN2C(N3CCCCCC3=N2)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 1.9623 |
| logD: | 1.9623 |
| logSw: | -2.4659 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.335 |
| InChI Key: | AUHYTJGPLJREQD-UHFFFAOYSA-N |