4-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl propane-2-sulfonate
4-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V025-5882 |
| Compound Name: | 4-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 434.55 |
| Molecular Formula: | C22 H30 N2 O5 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(C(C)C)(=O)=O)C(Nc1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5328 |
| logD: | 4.5328 |
| logSw: | -4.2409 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.236 |
| InChI Key: | KHQWRAYFLKMDOQ-UHFFFAOYSA-N |