2-cyano-3-(2,3,4-trimethoxyphenyl)prop-2-enethioamide
Chemical Structure Depiction of
2-cyano-3-(2,3,4-trimethoxyphenyl)prop-2-enethioamide
2-cyano-3-(2,3,4-trimethoxyphenyl)prop-2-enethioamide
Compound characteristics
| Compound ID: | K781-0092 |
| Compound Name: | 2-cyano-3-(2,3,4-trimethoxyphenyl)prop-2-enethioamide |
| Molecular Weight: | 278.33 |
| Molecular Formula: | C13 H14 N2 O3 S |
| Smiles: | COc1ccc(\C=C(/C#N)C(N)=S)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 1.7981 |
| logD: | 1.7981 |
| logSw: | -2.2406 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.812 |
| InChI Key: | NATONMVTJNQVEK-UHFFFAOYSA-N |