2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5047 |
| Compound Name: | 2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 484.54 |
| Molecular Formula: | C25 H20 N6 O3 S |
| Smiles: | CCC(c1ccccc1)c1nnc(NC(C(=C/c2cccn2c2ccc(cc2)[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.91 |
| logD: | 4.71 |
| logSw: | -6.38 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 222.27 |
| InChI Key: | APPCYUKFJWSABM-JOCHJYFZSA-N |