N-(2-methyl-3-nitrophenyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamide
N-(2-methyl-3-nitrophenyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C696-1168 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamide |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C23 H19 N5 O4 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(CN1C(c2ccccc2C(Cc2cccnc2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4477 |
| logD: | 2.4347 |
| logSw: | -2.676 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.149 |
| InChI Key: | ATSBIPAWJIGHHO-UHFFFAOYSA-N |