methyl 4-{2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]acetamido}benzoate
methyl 4-{2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | D262-0995 |
| Compound Name: | methyl 4-{2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]acetamido}benzoate |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C26 H27 N3 O4 |
| Smiles: | Cc1ccc(C)c(c1)C1C2CCCCC=2C(N(CC(Nc2ccc(cc2)C(=O)OC)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2371 |
| logD: | 5.2371 |
| logSw: | -4.9799 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.711 |
| InChI Key: | LJFJGOUGDIEQHH-UHFFFAOYSA-N |