2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C726-2573 |
| Compound Name: | 2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]-3-[5-(4-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C22 H20 N6 O4 S |
| Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2ccc(c3ccc(cc3)[N+]([O-])=O)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.27 |
| logD: | 5.11 |
| logSw: | -6.38 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 234.92 |
| InChI Key: | QZSVNPPBXZRYLA-UHFFFAOYSA-N |