methyl 2-({[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-5-iodobenzoate
Chemical Structure Depiction of
methyl 2-({[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-5-iodobenzoate
methyl 2-({[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-5-iodobenzoate
Compound characteristics
| Compound ID: | K091-1056 |
| Compound Name: | methyl 2-({[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-5-iodobenzoate |
| Molecular Weight: | 520.32 |
| Molecular Formula: | C22 H21 I N2 O5 |
| Smiles: | CCCCOc1ccc(cc1)C1=NC(=C\Nc2ccc(cc2C(=O)OC)I)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.9251 |
| logD: | 4.5262 |
| logSw: | -5.4559 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.87 |
| InChI Key: | OGJQFAHTNRKQNJ-UHFFFAOYSA-N |