5-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}-2-methoxyphenyl propane-2-sulfonate
5-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V008-2132 |
| Compound Name: | 5-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C21 H35 N O5 S |
| Smiles: | CC(C)CN(Cc1ccc(c(c1)OS(C(C)C)(=O)=O)OC)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3151 |
| logD: | 4.3151 |
| logSw: | -4.4166 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.944 |
| InChI Key: | LLNXMOQFPYVCBI-UHFFFAOYSA-N |