2-cyano-3-[1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-5313 |
| Compound Name: | 2-cyano-3-[1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C22 H23 N5 O S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cccn2c2ccc(C)c(C)c2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6 |
| logD: | 4.16 |
| logSw: | -6.99 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 133.18 |
| InChI Key: | CQJHLTIRAWCUSF-UHFFFAOYSA-N |