2-{[(butan-2-yl)(methoxyacetyl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[(butan-2-yl)(methoxyacetyl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
2-{[(butan-2-yl)(methoxyacetyl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5327 |
| Compound Name: | 2-{[(butan-2-yl)(methoxyacetyl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 482.98 |
| Molecular Formula: | C22 H27 Cl N2 O6 S |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])C(COC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.304 |
| logD: | 3.3039 |
| logSw: | -3.7316 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.056 |
| InChI Key: | NYNVYSREINIGNA-HNNXBMFYSA-N |