2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C146-1185 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C18 H13 N5 O4 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2ccc(c3ccc(cc3)[N+]([O-])=O)o2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.03 |
| logD: | 4.34 |
| logSw: | -5.85 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 260.48 |
| InChI Key: | MFBHLYLIFVVSMW-UHFFFAOYSA-N |