3-[4-methoxy-3-(4-methylpiperazine-1-sulfonyl)phenyl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
Chemical Structure Depiction of
3-[4-methoxy-3-(4-methylpiperazine-1-sulfonyl)phenyl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
3-[4-methoxy-3-(4-methylpiperazine-1-sulfonyl)phenyl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
Compound characteristics
| Compound ID: | 8016-4977 |
| Compound Name: | 3-[4-methoxy-3-(4-methylpiperazine-1-sulfonyl)phenyl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C22 H24 N6 O3 S |
| Smiles: | Cc1c2ccccc2c2nnc(c3ccc(c(c3)S(N3CCN(C)CC3)(=O)=O)OC)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.13 |
| logD: | 2.0674 |
| logSw: | -2.6795 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.067 |
| InChI Key: | PLCBMGILUHFVHS-UHFFFAOYSA-N |