2-cyano-3-[1-(2,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(2,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-4099 |
| Compound Name: | 2-cyano-3-[1-(2,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 455.54 |
| Molecular Formula: | C25 H21 N5 O2 S |
| Smiles: | Cc1ccc(c(C)c1)n1cccc1/C=C(/C#N)C(Nc1nnc(COc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.93 |
| logD: | 3.81 |
| logSw: | -6.53 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 138.88 |
| InChI Key: | HSZSMMSGNRXWLL-UHFFFAOYSA-N |