2-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]oxy}-1-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]oxy}-1-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethan-1-one
2-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]oxy}-1-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | C590-0820 |
| Compound Name: | 2-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]oxy}-1-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 520.61 |
| Molecular Formula: | C26 H28 N6 O4 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)C(COc1c2ccccc2c(nn1)n1c(C)cc(C)n1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4576 |
| logD: | 2.4575 |
| logSw: | -2.8018 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.411 |
| InChI Key: | PAYPHEWURPAIQB-UHFFFAOYSA-N |