3-{4-[2-(4-bromophenoxy)ethoxy]-3-iodo-5-methoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-bromophenoxy)ethoxy]-3-iodo-5-methoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[2-(4-bromophenoxy)ethoxy]-3-iodo-5-methoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5171 |
| Compound Name: | 3-{4-[2-(4-bromophenoxy)ethoxy]-3-iodo-5-methoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 655.31 |
| Molecular Formula: | C23 H20 Br I N4 O4 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(c(c(c2)I)OCCOc2ccc(cc2)[Br])OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.23 |
| logD: | 4.3 |
| logSw: | -7.5 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 167.21 |
| InChI Key: | UOFAVOTXAGTCQL-UHFFFAOYSA-N |