5-{[acetyl(butan-2-yl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[acetyl(butan-2-yl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-{[acetyl(butan-2-yl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5831 |
| Compound Name: | 5-{[acetyl(butan-2-yl)amino]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C22 H28 N2 O6 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)OC)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4021 |
| logD: | 2.402 |
| logSw: | -3.0313 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.258 |
| InChI Key: | AZLRALYCJHEZQR-HNNXBMFYSA-N |