2-cyano-3-{4-[(2-cyanobenzyl)oxy]-3-iodo-5-methoxyphenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(2-cyanobenzyl)oxy]-3-iodo-5-methoxyphenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{4-[(2-cyanobenzyl)oxy]-3-iodo-5-methoxyphenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5283 |
| Compound Name: | 2-cyano-3-{4-[(2-cyanobenzyl)oxy]-3-iodo-5-methoxyphenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 571.4 |
| Molecular Formula: | C23 H18 I N5 O3 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(c(c(c2)I)OCc2ccccc2C#N)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.16 |
| logD: | 3.23 |
| logSw: | -6.4 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 199.56 |
| InChI Key: | VDEIAEWKCCMTNM-UHFFFAOYSA-N |