ethyl 4-(2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamido)benzoate
ethyl 4-(2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C696-0925 |
| Compound Name: | ethyl 4-(2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamido)benzoate |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C25 H22 N4 O4 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(c2ccccc2C(Cc2ccncc2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0425 |
| logD: | 3.0384 |
| logSw: | -3.2907 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.43 |
| InChI Key: | OPTDRPBELOPASF-UHFFFAOYSA-N |