2-methyl-N-[3-(methylsulfanyl)phenyl]-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
2-methyl-N-[3-(methylsulfanyl)phenyl]-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide
2-methyl-N-[3-(methylsulfanyl)phenyl]-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D315-1914 |
| Compound Name: | 2-methyl-N-[3-(methylsulfanyl)phenyl]-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C22 H23 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1S(Nc1cccc(c1)SC)(=O)=O)C1C2CCCCC=2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2012 |
| logD: | 5.0873 |
| logSw: | -4.9043 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.2 |
| InChI Key: | QOHWPBRCRCKCIC-UHFFFAOYSA-N |