4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 4-methyl-1-benzenesulfonate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 4-methyl-1-benzenesulfonate
4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 4-methyl-1-benzenesulfonate
Compound characteristics
| Compound ID: | 3797-0619 |
| Compound Name: | 4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-ethoxyphenyl 4-methyl-1-benzenesulfonate |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C24 H24 N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C(C)C)s2)=O)ccc1OS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.83 |
| logD: | 2.92 |
| logSw: | -5.46 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 224.58 |
| InChI Key: | FXEWYFZCYHOIAC-UHFFFAOYSA-N |