2-methyl-4-[4-methyl-3-(4-methylpiperidine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Chemical Structure Depiction of
2-methyl-4-[4-methyl-3-(4-methylpiperidine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
2-methyl-4-[4-methyl-3-(4-methylpiperidine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one
Compound characteristics
| Compound ID: | D505-0055 |
| Compound Name: | 2-methyl-4-[4-methyl-3-(4-methylpiperidine-1-sulfonyl)phenyl]-5,6,7,8-tetrahydrophthalazin-1(2H)-one |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | CC1CCN(CC1)S(c1cc(ccc1C)C1C2CCCCC=2C(N(C)N=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3383 |
| logD: | 4.3383 |
| logSw: | -4.1981 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.049 |
| InChI Key: | OPABBMRYQYTWSS-UHFFFAOYSA-N |