methyl 4-[2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamido]benzoate
methyl 4-[2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8010-4730 |
| Compound Name: | methyl 4-[2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamido]benzoate |
| Molecular Weight: | 351.36 |
| Molecular Formula: | C19 H17 N3 O4 |
| Smiles: | CC1c2ccccc2C(N(CC(Nc2ccc(cc2)C(=O)OC)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5268 |
| logD: | 2.5268 |
| logSw: | -3.0231 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.963 |
| InChI Key: | UHLNTGBZWOIMOK-UHFFFAOYSA-N |