3-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2107 |
| Compound Name: | 3-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 466.04 |
| Molecular Formula: | C24 H32 Cl N O4 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9865 |
| logD: | 5.9865 |
| logSw: | -6.1081 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.955 |
| InChI Key: | JUZISTIHSHFAEB-UHFFFAOYSA-N |