methyl 4-[5-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Chemical Structure Depiction of
methyl 4-[5-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
methyl 4-[5-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Compound characteristics
| Compound ID: | C355-0072 |
| Compound Name: | methyl 4-[5-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C19 H14 N4 O6 S2 |
| Smiles: | COC(c1ccc(cc1)c1ccc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.13 |
| logD: | 0.76 |
| logSw: | -3.61 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 246.69 |
| InChI Key: | RHTJQHRSQWGICA-UHFFFAOYSA-N |