2-cyano-3-[1-(4-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[1-(4-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5076 |
| Compound Name: | 2-cyano-3-[1-(4-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C18 H15 N5 O S2 |
| Smiles: | Cc1ccc(cc1)n1cccc1/C=C(/C#N)C(Nc1nc(ns1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.75 |
| logD: | 4.14 |
| logSw: | -5.53 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 170.78 |
| InChI Key: | ODIONCRCIFOTNF-UHFFFAOYSA-N |