2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4272-0006 |
| Compound Name: | 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C20 H16 N4 O3 S |
| Smiles: | Cc1ccccc1c1nnc(NC(C(=C/c2ccc(c(c2)OC)O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.78 |
| logD: | 3.77 |
| logSw: | -4.54 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 182.02 |
| InChI Key: | OUTFGHWBIMGJKA-UHFFFAOYSA-N |