N~1~-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
N~1~-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
N~1~-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0405 |
| Compound Name: | N~1~-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 519.56 |
| Molecular Formula: | C24 H17 N5 O5 S2 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C(/C#N)C(Nc2nnc(SCc3ccccc3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.84 |
| logD: | 5.34 |
| logSw: | -6.62 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 265.84 |
| InChI Key: | SDUTYQVIEFJEAW-UHFFFAOYSA-N |