3-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2036 |
| Compound Name: | 3-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 467.03 |
| Molecular Formula: | C23 H31 Cl N2 O4 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5426 |
| logD: | 5.5426 |
| logSw: | -5.933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.449 |
| InChI Key: | DNVGZTDZNRXSMM-UHFFFAOYSA-N |