4-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl acetate
4-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 2192-1323 |
| Compound Name: | 4-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl acetate |
| Molecular Weight: | 416.77 |
| Molecular Formula: | C19 H13 Cl N2 O7 |
| Smiles: | CC(=O)Oc1ccc(/C=C2/C(=O)OC(c3cc(ccc3[Cl])[N+]([O-])=O)=N2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2111 |
| logD: | 3.2111 |
| logSw: | -3.9589 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.225 |
| InChI Key: | XXRLBMZKAWWMJK-UHFFFAOYSA-N |