3-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
3-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2503 |
| Compound Name: | 3-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 453.53 |
| Molecular Formula: | C22 H28 F N O6 S |
| Smiles: | CC(C)CC(N(CCOC)Cc1cccc(c1)OS(c1ccc(c(c1)F)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5869 |
| logD: | 3.5869 |
| logSw: | -3.8214 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.906 |
| InChI Key: | BFZYHOGCNRRGCB-UHFFFAOYSA-N |