3-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0644 |
| Compound Name: | 3-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 513.41 |
| Molecular Formula: | C23 H21 Br N4 O3 S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2cc(c(c(c2)[Br])OCc2ccccc2)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.72 |
| logD: | 3.81 |
| logSw: | -6.55 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 142.12 |
| InChI Key: | NOEQLPGNCQXQBP-UHFFFAOYSA-N |