methyl 4-{2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]butanamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]butanamido}benzoate
methyl 4-{2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]butanamido}benzoate
Compound characteristics
| Compound ID: | D262-0765 |
| Compound Name: | methyl 4-{2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]butanamido}benzoate |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C27 H29 N3 O4 |
| Smiles: | CCC(C(Nc1ccc(cc1)C(=O)OC)=O)N1C(C2CCCCC=2C(c2ccc(C)cc2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7013 |
| logD: | 5.7012 |
| logSw: | -5.339 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.042 |
| InChI Key: | KAQDWGCBQKQCTK-QHCPKHFHSA-N |