2-methyl-4-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
2-methyl-4-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]phthalazin-1(2H)-one
2-methyl-4-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 5498-2729 |
| Compound Name: | 2-methyl-4-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | Cc1ccc(cc1S(N1CCN(C)CC1)(=O)=O)C1c2ccccc2C(N(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1264 |
| logD: | 2.0638 |
| logSw: | -2.8587 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.333 |
| InChI Key: | CCSHWCKAUYDCJN-UHFFFAOYSA-N |