3-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0760 |
| Compound Name: | 3-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 500.98 |
| Molecular Formula: | C24 H22 Cl F N4 O3 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCc2ccc(cc2)F)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.31 |
| logD: | 4.38 |
| logSw: | -7.5 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 144.2 |
| InChI Key: | ZQJXNUJDXKSDPI-UHFFFAOYSA-N |