methyl [4-(3-nitrophenyl)-1-oxophthalazin-2(1H)-yl]acetate
Chemical Structure Depiction of
methyl [4-(3-nitrophenyl)-1-oxophthalazin-2(1H)-yl]acetate
methyl [4-(3-nitrophenyl)-1-oxophthalazin-2(1H)-yl]acetate
Compound characteristics
| Compound ID: | 6434-3837 |
| Compound Name: | methyl [4-(3-nitrophenyl)-1-oxophthalazin-2(1H)-yl]acetate |
| Molecular Weight: | 339.31 |
| Molecular Formula: | C17 H13 N3 O5 |
| Smiles: | COC(CN1C(c2ccccc2C(c2cccc(c2)[N+]([O-])=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1154 |
| logD: | 2.1154 |
| logSw: | -2.9918 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.427 |
| InChI Key: | NZBYNYUZTFMADA-UHFFFAOYSA-N |