4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 3,4-dimethoxybenzoate
4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | C356-0740 |
| Compound Name: | 4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 3,4-dimethoxybenzoate |
| Molecular Weight: | 528.56 |
| Molecular Formula: | C23 H20 N4 O7 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(cc2)OC(c2ccc(c(c2)OC)OC)=O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.23 |
| logD: | 0.87 |
| logSw: | -3.8 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 264.36 |
| InChI Key: | HXIGEPFEODIRIG-UHFFFAOYSA-N |