4-[2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]-2-ethoxyphenyl acetate
Chemical Structure Depiction of
4-[2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]-2-ethoxyphenyl acetate
4-[2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]-2-ethoxyphenyl acetate
Compound characteristics
| Compound ID: | 3335-0713 |
| Compound Name: | 4-[2-cyano-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethenyl]-2-ethoxyphenyl acetate |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C20 H22 N4 O3 |
| Smiles: | CCOc1cc(/C=C(/C#N)c2nnc3CCCCCn23)ccc1OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3635 |
| logD: | 2.3635 |
| logSw: | -2.6754 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.367 |
| InChI Key: | YGYXTECQFBXWMS-UHFFFAOYSA-N |