2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-5837 |
| Compound Name: | 2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 467.56 |
| Molecular Formula: | C23 H30 F N O6 S |
| Smiles: | CC(C)(C)CC(N(CCOC)Cc1ccccc1OS(c1ccc(c(c1)F)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2981 |
| logD: | 4.2981 |
| logSw: | -4.4044 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.993 |
| InChI Key: | SCXHIVUGIYFBMW-UHFFFAOYSA-N |