3-(3-ethoxy-4-hydroxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(3-ethoxy-4-hydroxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile
3-(3-ethoxy-4-hydroxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | G856-0701 |
| Compound Name: | 3-(3-ethoxy-4-hydroxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile |
| Molecular Weight: | 324.38 |
| Molecular Formula: | C18 H20 N4 O2 |
| Smiles: | CCOc1cc(\C=C(/C#N)c2nnc3CCCCCn23)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 2.4064 |
| logD: | 2.4038 |
| logSw: | -2.1288 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.077 |
| InChI Key: | OFPSVSSEAFXWPV-GXDHUFHOSA-N |