2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C146-5348 |
| Compound Name: | 2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C20 H17 N5 O4 S2 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc(c3cccc(c3)[N+]([O-])=O)o2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.75 |
| logD: | 5.06 |
| logSw: | -6.73 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 259.64 |
| InChI Key: | REBVRRDDHHVEFH-UHFFFAOYSA-N |