4-{4-[(2H-1,3-benzodioxol-5-yl)amino]phthalazin-1-yl}-N-(4-fluorophenyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)amino]phthalazin-1-yl}-N-(4-fluorophenyl)piperazine-1-carbothioamide
4-{4-[(2H-1,3-benzodioxol-5-yl)amino]phthalazin-1-yl}-N-(4-fluorophenyl)piperazine-1-carbothioamide
Compound characteristics
Compound ID: | V002-9045 |
Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)amino]phthalazin-1-yl}-N-(4-fluorophenyl)piperazine-1-carbothioamide |
Molecular Weight: | 502.57 |
Molecular Formula: | C26 H23 F N6 O2 S |
Salt: | not_available |
Smiles: | C1CN(CCN1C(Nc1ccc(cc1)F)=S)c1c2ccccc2c(Nc2ccc3c(c2)OCO3)nn1 |
Stereo: | ACHIRAL |
logP: | 5.3869 |
logD: | 5.3863 |
logSw: | -6.1359 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.469 |
InChI Key: | OQLZLUBPVKPEPH-UHFFFAOYSA-N |