N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyanoacrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyanoacrylamide
Compound characteristics
Compound ID: | 4272-0563 |
Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]-2-cyanoacrylamide |
Molecular Weight: | 547.03 |
Molecular Formula: | C28 H23 Cl N4 O4 S |
Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)cc(c1OCCOc1ccccc1)[Cl] |
Stereo: | ACHIRAL |
logP: | 6.26 |
logD: | 4.96 |
logSw: | -7.47 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 161.24 |
InChI Key: | DHCDYHYMMJBAKU-UHFFFAOYSA-N |