4-{[(2-ethoxyphenyl)-N-(3-methylbutyl)carbamamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-{[(2-ethoxyphenyl)-N-(3-methylbutyl)carbamamido]methyl}phenyl methanesulfonate
4-{[(2-ethoxyphenyl)-N-(3-methylbutyl)carbamamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V014-2045 |
| Compound Name: | 4-{[(2-ethoxyphenyl)-N-(3-methylbutyl)carbamamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 434.55 |
| Molecular Formula: | C22 H30 N2 O5 S |
| Smiles: | CCOc1ccccc1NC(N(CCC(C)C)Cc1ccc(cc1)OS(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5687 |
| logD: | 4.5687 |
| logSw: | -4.1455 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.91 |
| InChI Key: | BCGJMZLVHMNPAJ-UHFFFAOYSA-N |