2-{[acetyl(2-methoxyethyl)amino]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[acetyl(2-methoxyethyl)amino]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
2-{[acetyl(2-methoxyethyl)amino]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-3353 |
| Compound Name: | 2-{[acetyl(2-methoxyethyl)amino]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 411.45 |
| Molecular Formula: | C19 H22 F N O6 S |
| Smiles: | CC(N(CCOC)Cc1ccccc1OS(c1ccc(c(c1)F)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4776 |
| logD: | 2.4776 |
| logSw: | -2.8051 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.988 |
| InChI Key: | MRGNJTGBIOVCTC-UHFFFAOYSA-N |