2-iodo-6-methoxy-4-{[2-(2-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
2-iodo-6-methoxy-4-{[2-(2-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
2-iodo-6-methoxy-4-{[2-(2-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | K088-3029 |
| Compound Name: | 2-iodo-6-methoxy-4-{[2-(2-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 508.22 |
| Molecular Formula: | C19 H13 I N2 O7 |
| Smiles: | CC(=O)Oc1c(cc(\C=C2/C(=O)OC(c3ccccc3[N+]([O-])=O)=N2)cc1I)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2213 |
| logD: | 3.2213 |
| logSw: | -3.8692 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.011 |
| InChI Key: | ZVTIJSILCLKUMC-UHFFFAOYSA-N |