3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0247 |
| Compound Name: | 3-(3-allyl-4-hydroxy-5-methoxyphenyl)-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C17 H16 N4 O5 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)cc(CC=C)c1O |
| Stereo: | ACHIRAL |
| logP: | 2.32 |
| logD: | -0.03 |
| logSw: | -3.73 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 242.09 |
| InChI Key: | VTIZETZJZUUGSB-UHFFFAOYSA-N |