2-cyano-3-[1-(2,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-(5-propyl-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-propyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(2,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-3693 |
| Compound Name: | 2-cyano-3-[1-(2,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C21 H21 N5 O S |
| Smiles: | CCCc1nnc(NC(C(=C/c2cccn2c2ccc(C)cc2C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.66 |
| logD: | 3.82 |
| logSw: | -6.15 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 131.45 |
| InChI Key: | IGSZELGQLXIWTI-UHFFFAOYSA-N |