2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4319 |
| Compound Name: | 2-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 447.59 |
| Molecular Formula: | C24 H33 N O5 S |
| Smiles: | CC(C)CN(Cc1ccccc1OS(c1ccc(cc1)OC)(=O)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5884 |
| logD: | 5.5884 |
| logSw: | -5.4768 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.585 |
| InChI Key: | VUJZMPIAJRDLSI-UHFFFAOYSA-N |