5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl methanesulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl methanesulfonate
5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl methanesulfonate
Compound characteristics
| Compound ID: | V002-5474 |
| Compound Name: | 5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl methanesulfonate |
| Molecular Weight: | 385.52 |
| Molecular Formula: | C19 H31 N O5 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(C)(=O)=O)OC)C(CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4679 |
| logD: | 3.4679 |
| logSw: | -3.7062 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.388 |
| InChI Key: | KOBRELHFSSDGIB-AWEZNQCLSA-N |