3-{[N-(butan-2-yl)(3,5-dimethoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)(3,5-dimethoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate
3-{[N-(butan-2-yl)(3,5-dimethoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V011-5981 |
| Compound Name: | 3-{[N-(butan-2-yl)(3,5-dimethoxyphenyl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 450.55 |
| Molecular Formula: | C22 H30 N2 O6 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(CC)(=O)=O)C(Nc1cc(cc(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0751 |
| logD: | 4.0751 |
| logSw: | -4.1697 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.795 |
| InChI Key: | DYRIENPHPQMYFB-INIZCTEOSA-N |