2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C356-1237 |
| Compound Name: | 2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 487.51 |
| Molecular Formula: | C20 H17 N5 O6 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(c3cccc(c3)[N+]([O-])=O)o2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.65 |
| logD: | 2.28 |
| logSw: | -5.27 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 294.58 |
| InChI Key: | AOOWSCATRIAOPD-UHFFFAOYSA-N |