2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | 4011-0044 |
| Compound Name: | 2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide |
| Molecular Weight: | 384.46 |
| Molecular Formula: | C19 H20 N4 O3 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(C3CCCCC3)s2)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 3.8 |
| logD: | 1.89 |
| logSw: | -4.6 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 189.41 |
| InChI Key: | QKIJTLBDLUFFNP-UHFFFAOYSA-N |