N~1~-[(4-chlorophenyl)methyl]-N~1~-[(4-fluorophenyl)methyl]-N~4~-[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide
Chemical Structure Depiction of
N~1~-[(4-chlorophenyl)methyl]-N~1~-[(4-fluorophenyl)methyl]-N~4~-[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide
N~1~-[(4-chlorophenyl)methyl]-N~1~-[(4-fluorophenyl)methyl]-N~4~-[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide
Compound characteristics
| Compound ID: | D207-0084 |
| Compound Name: | N~1~-[(4-chlorophenyl)methyl]-N~1~-[(4-fluorophenyl)methyl]-N~4~-[(oxolan-2-yl)methyl]benzene-1,4-disulfonamide |
| Molecular Weight: | 553.07 |
| Molecular Formula: | C25 H26 Cl F N2 O5 S2 |
| Smiles: | C1CC(CNS(c2ccc(cc2)S(N(Cc2ccc(cc2)F)Cc2ccc(cc2)[Cl])(=O)=O)(=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5603 |
| logD: | 4.5603 |
| logSw: | -4.7105 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.755 |
| InChI Key: | HHTHXFQVCXLCCU-HSZRJFAPSA-N |