methyl 3-benzoyl-4-[5-(2-nitrophenyl)furan-2-yl]-2-oxobut-3-enoate
Chemical Structure Depiction of
methyl 3-benzoyl-4-[5-(2-nitrophenyl)furan-2-yl]-2-oxobut-3-enoate
methyl 3-benzoyl-4-[5-(2-nitrophenyl)furan-2-yl]-2-oxobut-3-enoate
Compound characteristics
| Compound ID: | 4476-0187 |
| Compound Name: | methyl 3-benzoyl-4-[5-(2-nitrophenyl)furan-2-yl]-2-oxobut-3-enoate |
| Molecular Weight: | 405.36 |
| Molecular Formula: | C22 H15 N O7 |
| Smiles: | COC(C(C(=C/c1ccc(c2ccccc2[N+]([O-])=O)o1)\C(c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1653 |
| logD: | 4.1653 |
| logSw: | -4.5266 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.268 |
| InChI Key: | PXEAOWXHVUSAAR-UHFFFAOYSA-N |