N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-chlorophenoxy)ethoxy]phenyl}-2-cyanoacrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-chlorophenoxy)ethoxy]phenyl}-2-cyanoacrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-chlorophenoxy)ethoxy]phenyl}-2-cyanoacrylamide
Compound characteristics
Compound ID: | 4272-0102 |
Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-3-{4-[2-(2-chlorophenoxy)ethoxy]phenyl}-2-cyanoacrylamide |
Molecular Weight: | 482.99 |
Molecular Formula: | C24 H23 Cl N4 O3 S |
Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(cc2)OCCOc2ccccc2[Cl])\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 6.01 |
logD: | 4.08 |
logSw: | -6.72 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 158.23 |
InChI Key: | RZHAHWDXJUTJAV-UHFFFAOYSA-N |