3-{[N-(2-methylpropyl)(propan-2-yl)carbamamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
3-{[N-(2-methylpropyl)(propan-2-yl)carbamamido]methyl}phenyl propane-2-sulfonate
3-{[N-(2-methylpropyl)(propan-2-yl)carbamamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V027-8994 |
| Compound Name: | 3-{[N-(2-methylpropyl)(propan-2-yl)carbamamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 370.51 |
| Molecular Formula: | C18 H30 N2 O4 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(C(C)C)(=O)=O)C(NC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6441 |
| logD: | 3.6441 |
| logSw: | -3.8983 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.871 |
| InChI Key: | VMKKCJOBWONYBK-UHFFFAOYSA-N |