3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C354-0695 |
| Compound Name: | 3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C20 H19 N5 O S2 |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)c(C)n1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.43 |
| logD: | 4.19 |
| logSw: | -5.04 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 164.62 |
| InChI Key: | FPXBVQINZYFBPW-UHFFFAOYSA-N |