5-{[4-butyl-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[4-butyl-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate
5-{[4-butyl-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V005-2151 |
| Compound Name: | 5-{[4-butyl-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 461.62 |
| Molecular Formula: | C25 H35 N O5 S |
| Smiles: | CCCCc1ccc(cc1)C(N(CC(C)C)Cc1ccc(c(c1)OS(CC)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3093 |
| logD: | 5.3093 |
| logSw: | -5.2912 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.275 |
| InChI Key: | FCJPTBHLRSXRHB-UHFFFAOYSA-N |