2-cyano-3-[1-(2-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(2-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-4095 |
| Compound Name: | 2-cyano-3-[1-(2-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 441.51 |
| Molecular Formula: | C24 H19 N5 O2 S |
| Smiles: | Cc1ccccc1n1cccc1/C=C(/C#N)C(Nc1nnc(COc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.21 |
| logD: | 3.09 |
| logSw: | -6.27 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 140.08 |
| InChI Key: | LHJLBZPQDANDQA-UHFFFAOYSA-N |