3-[5-(2-cyano-3-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
Chemical Structure Depiction of
3-[5-(2-cyano-3-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
3-[5-(2-cyano-3-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
Compound characteristics
| Compound ID: | 4011-0163 |
| Compound Name: | 3-[5-(2-cyano-3-{[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid |
| Molecular Weight: | 456.48 |
| Molecular Formula: | C24 H16 N4 O4 S |
| Smiles: | Cc1ccc(cc1)c1nnc(NC(C(=C/c2ccc(c3cccc(c3)C(O)=O)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.76 |
| logD: | 2.25 |
| logSw: | -6.52 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 211.58 |
| InChI Key: | VDKOSVZAAWGVAF-UHFFFAOYSA-N |