4-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl propane-2-sulfonate
4-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V001-7653 |
| Compound Name: | 4-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 370.51 |
| Molecular Formula: | C18 H30 N2 O4 S |
| Smiles: | CC(C)N(Cc1ccc(cc1)OS(C(C)C)(=O)=O)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5631 |
| logD: | 3.563 |
| logSw: | -3.7072 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.465 |
| InChI Key: | BDIMWZXWTZAIBJ-UHFFFAOYSA-N |