2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C355-0906 |
| Compound Name: | 2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 487.51 |
| Molecular Formula: | C20 H17 N5 O6 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc(c3ccc(cc3)[N+]([O-])=O)o2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6 |
| logD: | 2.23 |
| logSw: | -5.36 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 288.71 |
| InChI Key: | QDHTWWAWXFDRRZ-UHFFFAOYSA-N |