2-methoxy-5-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
2-methoxy-5-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-1601 |
| Compound Name: | 2-methoxy-5-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 488.43 |
| Molecular Formula: | C22 H27 Cl2 N O5 S |
| Smiles: | CC(C)CC(N(Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2708 |
| logD: | 5.2708 |
| logSw: | -5.8671 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.416 |
| InChI Key: | AIRTYORYFCJRJX-UHFFFAOYSA-N |