3-{[acetyl(butan-2-yl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[acetyl(butan-2-yl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate
3-{[acetyl(butan-2-yl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-2866 |
| Compound Name: | 3-{[acetyl(butan-2-yl)amino]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 391.48 |
| Molecular Formula: | C20 H25 N O5 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4884 |
| logD: | 3.4884 |
| logSw: | -3.7791 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.822 |
| InChI Key: | CTDBOTTXHXEIPE-HNNXBMFYSA-N |