2-methyl-N-[(oxolan-2-yl)methyl]-5-{4-[3-(trifluoromethyl)anilino]phthalazin-1-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
2-methyl-N-[(oxolan-2-yl)methyl]-5-{4-[3-(trifluoromethyl)anilino]phthalazin-1-yl}benzene-1-sulfonamide
2-methyl-N-[(oxolan-2-yl)methyl]-5-{4-[3-(trifluoromethyl)anilino]phthalazin-1-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4903-2175 |
| Compound Name: | 2-methyl-N-[(oxolan-2-yl)methyl]-5-{4-[3-(trifluoromethyl)anilino]phthalazin-1-yl}benzene-1-sulfonamide |
| Molecular Weight: | 542.58 |
| Molecular Formula: | C27 H25 F3 N4 O3 S |
| Smiles: | Cc1ccc(cc1S(NCC1CCCO1)(=O)=O)c1c2ccccc2c(Nc2cccc(c2)C(F)(F)F)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7208 |
| logD: | 5.719 |
| logSw: | -5.8416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.174 |
| InChI Key: | JAYDPEMXGGGPCZ-OAQYLSRUSA-N |