3-[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
Chemical Structure Depiction of
3-[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
3-[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C370-4712 |
| Compound Name: | 3-[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide |
| Molecular Weight: | 520.95 |
| Molecular Formula: | C24 H17 Cl N6 O4 S |
| Smiles: | Cc1ccccc1OCc1nnc(NC(C(=C/c2cccn2c2cc(ccc2[Cl])[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.79 |
| logD: | 3.67 |
| logSw: | -6.66 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 227.1 |
| InChI Key: | DPTGGRPQZWJMPG-UHFFFAOYSA-N |