4-[4-methyl-3-(2-methylpiperidine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Chemical Structure Depiction of
4-[4-methyl-3-(2-methylpiperidine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
4-[4-methyl-3-(2-methylpiperidine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Compound characteristics
| Compound ID: | D315-1882 |
| Compound Name: | 4-[4-methyl-3-(2-methylpiperidine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C21 H27 N3 O3 S |
| Smiles: | CC1CCCCN1S(c1cc(ccc1C)C1C2CCCCC=2C(NN=1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4321 |
| logD: | 4.4313 |
| logSw: | -4.1683 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.323 |
| InChI Key: | UMJYBIFNHXUBJA-HNNXBMFYSA-N |