5-{4-[(2H-1,3-benzodioxol-5-yl)amino]phthalazin-1-yl}-N-tert-butyl-2-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxol-5-yl)amino]phthalazin-1-yl}-N-tert-butyl-2-methylbenzene-1-sulfonamide
5-{4-[(2H-1,3-benzodioxol-5-yl)amino]phthalazin-1-yl}-N-tert-butyl-2-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4903-2242 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxol-5-yl)amino]phthalazin-1-yl}-N-tert-butyl-2-methylbenzene-1-sulfonamide |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C26 H26 N4 O4 S |
| Smiles: | Cc1ccc(cc1S(NC(C)(C)C)(=O)=O)c1c2ccccc2c(Nc2ccc3c(c2)OCO3)nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.2047 |
| logD: | 5.2037 |
| logSw: | -5.3256 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.943 |
| InChI Key: | ZBSYQBQWHYJBAC-UHFFFAOYSA-N |