4-[({4-[3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl 3-nitrobenzoate
Chemical Structure Depiction of
4-[({4-[3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl 3-nitrobenzoate
4-[({4-[3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 8006-2055 |
| Compound Name: | 4-[({4-[3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl 3-nitrobenzoate |
| Molecular Weight: | 494.48 |
| Molecular Formula: | C29 H19 F N2 O5 |
| Smiles: | C(=C/c1ccc(cc1)F)\C(c1ccc(cc1)/N=C/c1ccc(cc1)OC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6886 |
| logD: | 5.6886 |
| logSw: | -6.049 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.101 |
| InChI Key: | DKWOVCYSTZBUSH-UHFFFAOYSA-N |