3-[5-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
Chemical Structure Depiction of
3-[5-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
3-[5-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
Compound characteristics
| Compound ID: | C277-0007 |
| Compound Name: | 3-[5-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C20 H16 N4 O4 S2 |
| Smiles: | CC(C)Sc1nc(NC(C(=C/c2ccc(c3cccc(c3)C(O)=O)o2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.3 |
| logD: | 1.78 |
| logSw: | -6.01 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 237.05 |
| InChI Key: | DXQIWABIHUQHQT-UHFFFAOYSA-N |