N-(2-methoxy-5-nitrophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
N-(2-methoxy-5-nitrophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C696-0766 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C23 H19 N5 O5 |
| Smiles: | COc1ccc(cc1NC(CN1C(c2ccccc2C(Cc2ccncc2)=N1)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0326 |
| logD: | 2.0194 |
| logSw: | -2.9416 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.991 |
| InChI Key: | VYTSZHVIPRHFMV-UHFFFAOYSA-N |