N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide
Compound characteristics
Compound ID: | 4272-0201 |
Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide |
Molecular Weight: | 506.62 |
Molecular Formula: | C27 H30 N4 O4 S |
Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2cc(C)ccc2C)\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 6.2 |
logD: | 4.27 |
logSw: | -6.89 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 164.45 |
InChI Key: | CBJSEISRQPARFT-UHFFFAOYSA-N |