5-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl propane-2-sulfonate
5-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V001-5758 |
| Compound Name: | 5-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 423.5 |
| Molecular Formula: | C21 H26 F N O5 S |
| Smiles: | CC(C)N(Cc1ccc(c(c1)OS(C(C)C)(=O)=O)OC)C(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5537 |
| logD: | 3.5537 |
| logSw: | -3.7865 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.943 |
| InChI Key: | VLGFBOVLONZHLD-UHFFFAOYSA-N |