2-iodo-6-methoxy-4-[(2-methyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl acetate
Chemical Structure Depiction of
2-iodo-6-methoxy-4-[(2-methyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl acetate
2-iodo-6-methoxy-4-[(2-methyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl acetate
Compound characteristics
| Compound ID: | 8015-4603 |
| Compound Name: | 2-iodo-6-methoxy-4-[(2-methyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]phenyl acetate |
| Molecular Weight: | 401.15 |
| Molecular Formula: | C14 H12 I N O5 |
| Smiles: | CC1=NC(=C/c2cc(c(c(c2)I)OC(C)=O)OC)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 2.3922 |
| logD: | 2.3922 |
| logSw: | -2.6533 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.423 |
| InChI Key: | YTIABJHASWORCY-UHFFFAOYSA-N |