2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0468 |
| Compound Name: | 2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C21 H19 N5 O5 S2 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc(c3ccc(cc3[N+]([O-])=O)OC)o2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.81 |
| logD: | 5.12 |
| logSw: | -6.86 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 261.66 |
| InChI Key: | XHJLZWBSAXOXAE-UHFFFAOYSA-N |