2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}acrylamide
2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C355-0975 |
| Compound Name: | 2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}acrylamide |
| Molecular Weight: | 526.63 |
| Molecular Formula: | C25 H26 N4 O5 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc(c(c2)OC)OCc2cccc(C)c2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.32 |
| logD: | 2.97 |
| logSw: | -6.17 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 207.48 |
| InChI Key: | VSBMNUXXCASYDH-UHFFFAOYSA-N |