methyl [4-(2-{4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-1-oxophthalazin-2(1H)-yl}acetamido)phenoxy]acetate
Chemical Structure Depiction of
methyl [4-(2-{4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-1-oxophthalazin-2(1H)-yl}acetamido)phenoxy]acetate
methyl [4-(2-{4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-1-oxophthalazin-2(1H)-yl}acetamido)phenoxy]acetate
Compound characteristics
| Compound ID: | 8012-7667 |
| Compound Name: | methyl [4-(2-{4-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]-1-oxophthalazin-2(1H)-yl}acetamido)phenoxy]acetate |
| Molecular Weight: | 604.68 |
| Molecular Formula: | C31 H32 N4 O7 S |
| Smiles: | Cc1ccc(cc1S(N1CCCCC1)(=O)=O)C1c2ccccc2C(N(CC(Nc2ccc(cc2)OCC(=O)OC)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5689 |
| logD: | 3.5689 |
| logSw: | -3.7622 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.134 |
| InChI Key: | QNVUXUJPJRTSQU-UHFFFAOYSA-N |