methyl 4-[3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido]benzoate
methyl 4-[3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | 8015-1126 |
| Compound Name: | methyl 4-[3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido]benzoate |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C25 H21 N3 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CCN1C(c2ccccc2C(c2ccccc2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5335 |
| logD: | 3.5333 |
| logSw: | -3.6668 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.497 |
| InChI Key: | SQYRCLZZARAUTO-UHFFFAOYSA-N |