5-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}-2-methoxyphenyl ethanesulfonate
5-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-9881 |
| Compound Name: | 5-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C20 H33 N O5 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(CC(C)C)C(CC(C)(C)C)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8481 |
| logD: | 3.8481 |
| logSw: | -4.0044 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.019 |
| InChI Key: | SALJVCYLZDIKHC-UHFFFAOYSA-N |