N~1~-[3-(benzylsulfonyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
N~1~-[3-(benzylsulfonyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide
N~1~-[3-(benzylsulfonyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0626 |
| Compound Name: | N~1~-[3-(benzylsulfonyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 535.56 |
| Molecular Formula: | C24 H17 N5 O6 S2 |
| Smiles: | Cc1ccc(cc1c1ccc(/C=C(/C#N)C(Nc2nc(ns2)S(Cc2ccccc2)(=O)=O)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.96 |
| logD: | 2.6 |
| logSw: | -5.66 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 276.36 |
| InChI Key: | YKJMGEAUESHLDV-UHFFFAOYSA-N |