2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0513 |
| Compound Name: | 2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C23 H21 N5 O5 S |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C(/C#N)C(Nc2nnc(C3CCCCC3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.72 |
| logD: | 3.79 |
| logSw: | -6.61 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 228.35 |
| InChI Key: | XDYWVHBEGMCLBL-UHFFFAOYSA-N |