2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C146-0167 |
| Compound Name: | 2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 413.43 |
| Molecular Formula: | C17 H11 N5 O4 S2 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc(c3ccc(cc3)[N+]([O-])=O)o2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.63 |
| logD: | 3.94 |
| logSw: | -5.49 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 263.81 |
| InChI Key: | QSMHXLZVOHOBPJ-UHFFFAOYSA-N |