2-methoxy-5-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
2-methoxy-5-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8470 |
| Compound Name: | 2-methoxy-5-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 504.43 |
| Molecular Formula: | C22 H27 Cl2 N O6 S |
| Smiles: | CC(C)CC(N(CCOC)Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4246 |
| logD: | 4.4246 |
| logSw: | -4.5137 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.993 |
| InChI Key: | QBGPWGHLXGDGCM-UHFFFAOYSA-N |