3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl 3-nitrobenzoate
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl 3-nitrobenzoate
3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl 3-nitrobenzoate
Compound characteristics
| Compound ID: | G856-6307 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl 3-nitrobenzoate |
| Molecular Weight: | 461.43 |
| Molecular Formula: | C25 H19 N O8 |
| Smiles: | CC1=C(C(=O)Oc2ccc(cc12)OC(c1cccc(c1)[N+]([O-])=O)=O)c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3587 |
| logD: | 4.3587 |
| logSw: | -4.5652 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.909 |
| InChI Key: | OBFJQHVQLYQDRU-UHFFFAOYSA-N |