2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0807 |
| Compound Name: | 2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C21 H18 N6 O4 S |
| Smiles: | Cc1ccc(cc1c1ccc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.95 |
| logD: | 4.79 |
| logSw: | -5.87 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 225.3 |
| InChI Key: | GGBVQEVHENRDBX-UHFFFAOYSA-N |