N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(2-methyl-4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(2-methyl-4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(2-methyl-4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-3793 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(2-methyl-4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C21 H20 N6 O3 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cccn2c2ccc(cc2C)[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.59 |
| logD: | 3.76 |
| logSw: | -6.31 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 218.34 |
| InChI Key: | OJZQCLYKKZVLTE-UHFFFAOYSA-N |