4-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
4-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
4-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1642 |
| Compound Name: | 4-{[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(Cc1ccc(cc1)OS(c1ccc(cc1)OC)(=O)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3508 |
| logD: | 5.3508 |
| logSw: | -5.2892 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.499 |
| InChI Key: | WOOHTTYEUXQXLQ-UHFFFAOYSA-N |