2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-4706 |
| Compound Name: | 2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 486.51 |
| Molecular Formula: | C24 H18 N6 O4 S |
| Smiles: | Cc1ccccc1OCc1nnc(NC(C(=C/c2cccn2c2ccc(cc2)[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.28 |
| logD: | 3.16 |
| logSw: | -6.31 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 231.94 |
| InChI Key: | YLNJOKYMBSIZHE-UHFFFAOYSA-N |