2-cyano-3-{4-[(2-methylbenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(2-methylbenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{4-[(2-methylbenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0425 |
| Compound Name: | 2-cyano-3-{4-[(2-methylbenzyl)oxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C21 H18 N4 O2 S2 |
| Smiles: | Cc1ccccc1COc1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.51 |
| logD: | 4.84 |
| logSw: | -6.29 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 177.29 |
| InChI Key: | VNBNOSMBBBWPMO-UHFFFAOYSA-N |