3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | 4277-0532 |
Compound Name: | 3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
Molecular Weight: | 482.99 |
Molecular Formula: | C24 H23 Cl N4 O3 S |
Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccccc2[Cl])\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 5.7 |
logD: | 3.77 |
logSw: | -6.6 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 159.49 |
InChI Key: | VHXVEQHIRNEMTJ-UHFFFAOYSA-N |