5-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4346 |
| Compound Name: | 5-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 540.44 |
| Molecular Formula: | C25 H24 Cl2 F N O5 S |
| Smiles: | CC(C)CN(Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)C(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7341 |
| logD: | 5.7341 |
| logSw: | -6.0301 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.928 |
| InChI Key: | MKSUQLFVZIDAQW-UHFFFAOYSA-N |