N-(2-methyl-3-nitrophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
N-(2-methyl-3-nitrophenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C696-0867 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-2-{1-oxo-4-[(pyridin-4-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(Cc2ccncc2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3786 |
| logD: | 2.374 |
| logSw: | -2.8638 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.059 |
| InChI Key: | VBOOREQIDBPURD-UHFFFAOYSA-N |