2-cyano-N~1~-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
2-cyano-N~1~-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-4242 |
| Compound Name: | 2-cyano-N~1~-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 456.48 |
| Molecular Formula: | C23 H16 N6 O3 S |
| Smiles: | Cc1cccc(c1)c1nnc(NC(C(=C/c2cccn2c2ccc(cc2)[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.44 |
| logD: | 5.37 |
| logSw: | -6.43 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 218.44 |
| InChI Key: | INZWXNSXHNYAHE-UHFFFAOYSA-N |