4-{[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl 2-methylpropanoate
Chemical Structure Depiction of
4-{[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl 2-methylpropanoate
4-{[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl 2-methylpropanoate
Compound characteristics
| Compound ID: | Y501-1732 |
| Compound Name: | 4-{[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl 2-methylpropanoate |
| Molecular Weight: | 444.83 |
| Molecular Formula: | C21 H17 Cl N2 O7 |
| Smiles: | CC(C)C(=O)Oc1ccc(\C=C2/C(=O)OC(c3ccc(cc3[Cl])[N+]([O-])=O)=N2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.1853 |
| logD: | 4.1853 |
| logSw: | -4.7852 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.124 |
| InChI Key: | UQMKNMXPOFJKBO-UHFFFAOYSA-N |