N-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]butanamide
Compound characteristics
| Compound ID: | D262-0531 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]butanamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C26 H27 N3 O4 |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)N1C(C2CCCCC=2C(c2ccc(C)cc2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4437 |
| logD: | 5.4436 |
| logSw: | -5.2445 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.983 |
| InChI Key: | FNNIJSCSOUPFIW-NRFANRHFSA-N |