2-methoxy-5-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
2-methoxy-5-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-0712 |
| Compound Name: | 2-methoxy-5-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 467.56 |
| Molecular Formula: | C23 H30 F N O6 S |
| Smiles: | CC(C)(C)CC(N(CCOC)Cc1ccc(c(c1)OS(c1ccc(cc1)F)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8711 |
| logD: | 3.8711 |
| logSw: | -4.0407 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.993 |
| InChI Key: | VYYIYSMGLITQBW-UHFFFAOYSA-N |