methyl 4-[(4-carbamoyl-1-oxophthalazin-2(1H)-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(4-carbamoyl-1-oxophthalazin-2(1H)-yl)methyl]benzoate
methyl 4-[(4-carbamoyl-1-oxophthalazin-2(1H)-yl)methyl]benzoate
Compound characteristics
| Compound ID: | 8020-2847 |
| Compound Name: | methyl 4-[(4-carbamoyl-1-oxophthalazin-2(1H)-yl)methyl]benzoate |
| Molecular Weight: | 337.33 |
| Molecular Formula: | C18 H15 N3 O4 |
| Smiles: | COC(c1ccc(CN2C(c3ccccc3C(C(N)=O)=N2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3319 |
| logD: | 1.3319 |
| logSw: | -2.2451 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.7 |
| InChI Key: | JPYLFUGCWWPPLF-UHFFFAOYSA-N |