2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-3252 |
| Compound Name: | 2-cyano-3-[5-(2-methyl-5-nitrophenyl)-2-furyl]-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C23 H22 N6 O4 S |
| Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2ccc(c3cc(ccc3C)[N+]([O-])=O)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.58 |
| logD: | 5.42 |
| logSw: | -6.6 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 227.52 |
| InChI Key: | UPEGKFGCMGGSCG-UHFFFAOYSA-N |