methyl 4-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzoate
methyl 4-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzoate
Compound characteristics
| Compound ID: | 4109-1979 |
| Compound Name: | methyl 4-({4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzoate |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C28 H28 N4 O4 S |
| Smiles: | Cc1ccc(cc1S(N1CCCCC1)(=O)=O)c1c2ccccc2c(Nc2ccc(cc2)C(=O)OC)nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.565 |
| logD: | 5.5647 |
| logSw: | -5.5774 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.646 |
| InChI Key: | KEOVHTIHVUYIHU-UHFFFAOYSA-N |