2-bromo-4-{[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
2-bromo-4-{[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
2-bromo-4-{[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 8001-1688 |
| Compound Name: | 2-bromo-4-{[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 400.23 |
| Molecular Formula: | C19 H14 Br N O4 |
| Smiles: | CC(=O)Oc1ccc(/C=C2/C(=O)OC(c3cccc(C)c3)=N2)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6493 |
| logD: | 3.6493 |
| logSw: | -3.9376 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.213 |
| InChI Key: | NSCDTEKSCRKTSM-UHFFFAOYSA-N |