N-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide
N-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D315-1920 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C22 H21 N3 O5 S |
| Smiles: | Cc1ccc(cc1S(Nc1ccc2c(c1)OCO2)(=O)=O)C1C2CCCCC=2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5733 |
| logD: | 3.8792 |
| logSw: | -4.3745 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.315 |
| InChI Key: | OECPQAUZLLDMDN-UHFFFAOYSA-N |