5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl ethanesulfonate
5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V010-0090 |
| Compound Name: | 5-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C20 H33 N O5 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(CC)(=O)=O)OC)C(CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8317 |
| logD: | 3.8317 |
| logSw: | -3.9867 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.348 |
| InChI Key: | UTVZXVKJVOLVTF-HNNXBMFYSA-N |