3-{4-[2-(2-allylphenoxy)ethoxy]-3-bromo-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-allylphenoxy)ethoxy]-3-bromo-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[2-(2-allylphenoxy)ethoxy]-3-bromo-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-1167 |
| Compound Name: | 3-{4-[2-(2-allylphenoxy)ethoxy]-3-bromo-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 583.5 |
| Molecular Formula: | C27 H27 Br N4 O4 S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2cc(c(c(c2)[Br])OCCOc2ccccc2CC=C)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.5 |
| logD: | 4.59 |
| logSw: | -7.63 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 146.71 |
| InChI Key: | SKQXXMZVFMGKTO-UHFFFAOYSA-N |