3-[5-(2-bromo-4-nitrophenyl)-2-furyl]-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[5-(2-bromo-4-nitrophenyl)-2-furyl]-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[5-(2-bromo-4-nitrophenyl)-2-furyl]-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3773-2902 |
| Compound Name: | 3-[5-(2-bromo-4-nitrophenyl)-2-furyl]-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 488.32 |
| Molecular Formula: | C19 H14 Br N5 O4 S |
| Smiles: | CCCc1nnc(NC(C(=C/c2ccc(c3ccc(cc3[Br])[N+]([O-])=O)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.72 |
| logD: | 3.77 |
| logSw: | -6.52 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 223.09 |
| InChI Key: | XUFDDAHLOFJPML-UHFFFAOYSA-N |