2-cyano-3-[1-(2-methyl-5-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2-methyl-5-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(2-methyl-5-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | C370-3562 |
Compound Name: | 2-cyano-3-[1-(2-methyl-5-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide |
Molecular Weight: | 380.38 |
Molecular Formula: | C17 H12 N6 O3 S |
Smiles: | Cc1ccc(cc1n1cccc1/C=C(/C#N)C(Nc1nncs1)=O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.43 |
logD: | 2.59 |
logSw: | -4.4 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 225.26 |
InChI Key: | CCRQGWHWXATYCA-UHFFFAOYSA-N |