5-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl propane-2-sulfonate
5-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-4660 |
| Compound Name: | 5-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 437.53 |
| Molecular Formula: | C22 H28 F N O5 S |
| Smiles: | CC(C)CN(Cc1ccc(c(c1)OS(C(C)C)(=O)=O)OC)C(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8457 |
| logD: | 3.8457 |
| logSw: | -4.0751 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.2 |
| InChI Key: | RCIWKIVQJKSSMA-UHFFFAOYSA-N |