methyl 4-[5-(3-{[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-2-cyano-3-oxo-1-propenyl)-2-furyl]benzoate
Chemical Structure Depiction of
methyl 4-[5-(3-{[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-2-cyano-3-oxo-1-propenyl)-2-furyl]benzoate
methyl 4-[5-(3-{[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-2-cyano-3-oxo-1-propenyl)-2-furyl]benzoate
Compound characteristics
| Compound ID: | 4011-0293 |
| Compound Name: | methyl 4-[5-(3-{[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-2-cyano-3-oxo-1-propenyl)-2-furyl]benzoate |
| Molecular Weight: | 490.92 |
| Molecular Formula: | C24 H15 Cl N4 O4 S |
| Smiles: | COC(c1ccc(cc1)c1ccc(/C=C(/C#N)C(Nc2nnc(c3ccccc3[Cl])s2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.06 |
| logD: | 5.57 |
| logSw: | -6.96 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.78 |
| InChI Key: | HFFDBYYOMSDGEA-UHFFFAOYSA-N |