3-[5-(2-cyano-3-oxo-3-{[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoic acid
Chemical Structure Depiction of
3-[5-(2-cyano-3-oxo-3-{[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoic acid
3-[5-(2-cyano-3-oxo-3-{[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoic acid
Compound characteristics
| Compound ID: | 4011-0213 |
| Compound Name: | 3-[5-(2-cyano-3-oxo-3-{[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino}-1-propenyl)-2-furyl]benzoic acid |
| Molecular Weight: | 472.48 |
| Molecular Formula: | C24 H16 N4 O5 S |
| Smiles: | C(c1nnc(NC(C(=C/c2ccc(c3cccc(c3)C(O)=O)o2)\C#N)=O)s1)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.02 |
| logD: | 1.51 |
| logSw: | -5.67 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 221.27 |
| InChI Key: | MVCCGNBAZHNBDC-UHFFFAOYSA-N |