3-{[N-(butan-2-yl)-2,4-dimethoxybenzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)-2,4-dimethoxybenzamido]methyl}phenyl ethanesulfonate
3-{[N-(butan-2-yl)-2,4-dimethoxybenzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V014-1987 |
| Compound Name: | 3-{[N-(butan-2-yl)-2,4-dimethoxybenzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C22 H29 N O6 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(CC)(=O)=O)C(c1ccc(cc1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7684 |
| logD: | 3.7684 |
| logSw: | -4.0226 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.061 |
| InChI Key: | NMMJXQIQRIBIGP-INIZCTEOSA-N |