4-{[2-(1-oxophthalazin-2(1H)-yl)acetamido]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2-(1-oxophthalazin-2(1H)-yl)acetamido]methyl}benzoic acid
4-{[2-(1-oxophthalazin-2(1H)-yl)acetamido]methyl}benzoic acid
Compound characteristics
| Compound ID: | Y043-1533 |
| Compound Name: | 4-{[2-(1-oxophthalazin-2(1H)-yl)acetamido]methyl}benzoic acid |
| Molecular Weight: | 337.33 |
| Molecular Formula: | C18 H15 N3 O4 |
| Smiles: | C(c1ccc(cc1)C(O)=O)NC(CN1C(c2ccccc2C=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2265 |
| logD: | -1.745 |
| logSw: | -2.4091 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.11 |
| InChI Key: | LWAMROXPLKJXEB-UHFFFAOYSA-N |