5-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl acetate
Chemical Structure Depiction of
5-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl acetate
5-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 2062-0772 |
| Compound Name: | 5-{[2-(4-chloro-3-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)Oc1cc(/C=C2/C(=O)OC(c3ccc(c(c3)[N+]([O-])=O)[Cl])=N2)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.1501 |
| logD: | 3.1501 |
| logSw: | -3.8082 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.924 |
| InChI Key: | BKXQMMACTZUEJQ-UHFFFAOYSA-N |