methyl 4-[5-(2-cyano-3-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Chemical Structure Depiction of
methyl 4-[5-(2-cyano-3-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
methyl 4-[5-(2-cyano-3-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Compound characteristics
| Compound ID: | 4011-0204 |
| Compound Name: | methyl 4-[5-(2-cyano-3-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate |
| Molecular Weight: | 470.51 |
| Molecular Formula: | C25 H18 N4 O4 S |
| Smiles: | Cc1ccc(cc1)c1nnc(NC(C(=C/c2ccc(c3ccc(cc3)C(=O)OC)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.06 |
| logD: | 5.97 |
| logSw: | -6.95 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 182.42 |
| InChI Key: | GAHAEUKPUHEHHG-UHFFFAOYSA-N |