N-[2-(3,4-dimethoxyphenyl)ethyl]-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-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-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: | S336-0235 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)acetamide |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C19 H26 N4 O4 |
| Smiles: | COc1ccc(CCNC(CN2C(N3CCCCCC3=N2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.1132 |
| logD: | 1.1132 |
| logSw: | -2.2045 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.09 |
| InChI Key: | VFCOYEOGOGCPFX-UHFFFAOYSA-N |