3-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4095 |
| Compound Name: | 3-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 453 |
| Molecular Formula: | C22 H29 Cl N2 O4 S |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0558 |
| logD: | 5.0557 |
| logSw: | -5.276 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.193 |
| InChI Key: | OSUCAZMSNOCWHK-UHFFFAOYSA-N |