2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0293 |
| Compound Name: | 2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C24 H25 N5 O4 S |
| Smiles: | CCCCCCCc1nnc(NC(C(=C/c2ccc(c3cc(ccc3C)[N+]([O-])=O)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 7.19 |
| logD: | 5.24 |
| logSw: | -7.39 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 222.21 |
| InChI Key: | AVKLNFQVRUSVSO-UHFFFAOYSA-N |