2-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]phenyl 4-nitrobenzoate
Chemical Structure Depiction of
2-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]phenyl 4-nitrobenzoate
2-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]phenyl 4-nitrobenzoate
Compound characteristics
Compound ID: | 8008-7617 |
Compound Name: | 2-[(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]phenyl 4-nitrobenzoate |
Molecular Weight: | 414.37 |
Molecular Formula: | C23 H14 N2 O6 |
Smiles: | C(=C1/C(=O)OC(c2ccccc2)=N1)\c1ccccc1OC(c1ccc(cc1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2521 |
logD: | 4.2521 |
logSw: | -4.7644 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 84.222 |
InChI Key: | GBZKFHZMBCHOPK-UHFFFAOYSA-N |