ethyl 4-[(5-{[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(5-{[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate
ethyl 4-[(5-{[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate
Compound characteristics
| Compound ID: | Y500-5789 |
| Compound Name: | ethyl 4-[(5-{[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate |
| Molecular Weight: | 548.41 |
| Molecular Formula: | C23 H22 Br N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/NC(/C(=C\c2cc(c(c(c2)[Br])OCC(N)=O)OCC)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3033 |
| logD: | 3.303 |
| logSw: | -3.5686 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.177 |
| InChI Key: | IXUYUXHVNNLJBE-UHFFFAOYSA-N |