5-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl propane-2-sulfonate
5-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V001-7631 |
| Compound Name: | 5-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C19 H32 N2 O5 S |
| Smiles: | CC(C)N(Cc1ccc(c(c1)OS(C(C)C)(=O)=O)OC)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3844 |
| logD: | 3.3843 |
| logSw: | -3.8211 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.182 |
| InChI Key: | VAZVMVGYNOGVEB-UHFFFAOYSA-N |