2-cyano-3-{3-iodo-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-iodo-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{3-iodo-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1487 |
| Compound Name: | 2-cyano-3-{3-iodo-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 546.39 |
| Molecular Formula: | C22 H19 I N4 O3 S |
| Smiles: | Cc1cccc(COc2c(cc(/C=C(/C#N)C(Nc3nnc(C)s3)=O)cc2I)OC)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5 |
| logD: | 3.55 |
| logSw: | -6.46 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 148.7 |
| InChI Key: | PWYYZOUQOUWHKK-UHFFFAOYSA-N |