methyl N-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carbonyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carbonyl)-beta-alaninate
methyl N-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carbonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y042-5875 |
| Compound Name: | methyl N-(3-methyl-4-oxo-3,4-dihydrophthalazine-1-carbonyl)-beta-alaninate |
| Molecular Weight: | 289.29 |
| Molecular Formula: | C14 H15 N3 O4 |
| Smiles: | CN1C(c2ccccc2C(C(NCCC(=O)OC)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1374 |
| logD: | -0.1374 |
| logSw: | -1.9362 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.523 |
| InChI Key: | KWZGCVBNKIWGOO-UHFFFAOYSA-N |