N-[(1H-benzimidazol-2-yl)methyl]-2-methyl-5-{4-[3-(trifluoromethyl)anilino]phthalazin-1-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
N-[(1H-benzimidazol-2-yl)methyl]-2-methyl-5-{4-[3-(trifluoromethyl)anilino]phthalazin-1-yl}benzene-1-sulfonamide
N-[(1H-benzimidazol-2-yl)methyl]-2-methyl-5-{4-[3-(trifluoromethyl)anilino]phthalazin-1-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4903-2151 |
| Compound Name: | N-[(1H-benzimidazol-2-yl)methyl]-2-methyl-5-{4-[3-(trifluoromethyl)anilino]phthalazin-1-yl}benzene-1-sulfonamide |
| Molecular Weight: | 588.61 |
| Molecular Formula: | C30 H23 F3 N6 O2 S |
| Smiles: | Cc1ccc(cc1S(NCc1nc2ccccc2[nH]1)(=O)=O)c1c2ccccc2c(Nc2cccc(c2)C(F)(F)F)nn1 |
| Stereo: | ACHIRAL |
| logP: | 6.9133 |
| logD: | 6.7985 |
| logSw: | -6.144 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.801 |
| InChI Key: | GAHSGKZXLJDOBO-UHFFFAOYSA-N |