3-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2024 |
| Compound Name: | 3-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 439.96 |
| Molecular Formula: | C21 H26 Cl N O5 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6751 |
| logD: | 3.6751 |
| logSw: | -3.8402 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.379 |
| InChI Key: | YKBNTIDHMBAZPL-UHFFFAOYSA-N |