2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-[1-(2-methylphenyl)-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-(2-methylphenyl)-1H-pyrrol-2-yl]acrylamide
2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-[1-(2-methylphenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-4675 |
| Compound Name: | 2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-[1-(2-methylphenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 455.54 |
| Molecular Formula: | C25 H21 N5 O2 S |
| Smiles: | Cc1ccccc1n1cccc1/C=C(/C#N)C(Nc1nnc(COc2ccccc2C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.72 |
| logD: | 3.59 |
| logSw: | -6.68 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 137.79 |
| InChI Key: | IIAHQRZUDHRLMK-UHFFFAOYSA-N |