3-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
3-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-0887 |
| Compound Name: | 3-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 434.55 |
| Molecular Formula: | C22 H30 N2 O5 S |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4621 |
| logD: | 4.462 |
| logSw: | -4.3819 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.737 |
| InChI Key: | NRMIKFYROYAVBB-UHFFFAOYSA-N |