4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-2,5-dione
Chemical Structure Depiction of
4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-2,5-dione
4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-2,5-dione
Compound characteristics
| Compound ID: | 8017-1858 |
| Compound Name: | 4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-2,5-dione |
| Molecular Weight: | 487.47 |
| Molecular Formula: | C27 H21 N O8 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)OCc1cc(ccc1OC)C1CC(=O)OC2=C1C(=O)Oc1ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.683 |
| logD: | 4.683 |
| logSw: | -4.7019 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.719 |
| InChI Key: | MRGZFASGRKMTAN-FQEVSTJZSA-N |