3-[5-(3-{[3-(benzylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-2-cyano-3-oxo-1-propenyl)-2-furyl]benzoic acid
Chemical Structure Depiction of
3-[5-(3-{[3-(benzylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-2-cyano-3-oxo-1-propenyl)-2-furyl]benzoic acid
3-[5-(3-{[3-(benzylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-2-cyano-3-oxo-1-propenyl)-2-furyl]benzoic acid
Compound characteristics
| Compound ID: | C355-1532 |
| Compound Name: | 3-[5-(3-{[3-(benzylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-2-cyano-3-oxo-1-propenyl)-2-furyl]benzoic acid |
| Molecular Weight: | 520.54 |
| Molecular Formula: | C24 H16 N4 O6 S2 |
| Smiles: | C(c1ccccc1)S(c1nc(NC(C(=C/c2ccc(c3cccc(c3)C(O)=O)o2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.51 |
| logD: | 1 |
| logSw: | -5 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 265.17 |
| InChI Key: | OSBBGKSXOYABIQ-UHFFFAOYSA-N |