N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(2,6-dimethylphenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(2,6-dimethylphenyl)-1H-pyrrol-2-yl]acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(2,6-dimethylphenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
Compound ID: | C370-5426 |
Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(2,6-dimethylphenyl)-1H-pyrrol-2-yl]acrylamide |
Molecular Weight: | 439.54 |
Molecular Formula: | C25 H21 N5 O S |
Smiles: | Cc1cccc(C)c1n1cccc1/C=C(/C#N)C(Nc1nnc(Cc2ccccc2)s1)=O |
Stereo: | ACHIRAL |
logP: | 5.76 |
logD: | 4.54 |
logSw: | -6.54 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 127.88 |
InChI Key: | LMEMQSVDIJAFHJ-UHFFFAOYSA-N |