3-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0780 |
| Compound Name: | 3-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 531.4 |
| Molecular Formula: | C23 H20 Br F N4 O3 S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2cc(c(c(c2)[Br])OCc2ccccc2F)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.8 |
| logD: | 3.89 |
| logSw: | -6.96 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 144.27 |
| InChI Key: | XQHZWSFCMXYIFO-UHFFFAOYSA-N |