4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 3,4-dimethoxybenzoate
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | C277-4719 |
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 3,4-dimethoxybenzoate |
| Molecular Weight: | 512.56 |
| Molecular Formula: | C23 H20 N4 O6 S2 |
| Smiles: | COc1ccc(cc1OC)C(=O)Oc1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.08 |
| logD: | 3.41 |
| logSw: | -5.25 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 243.69 |
| InChI Key: | VFADHQYOALCQIZ-UHFFFAOYSA-N |