4-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl propane-2-sulfonate
4-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V027-5116 |
| Compound Name: | 4-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 386.51 |
| Molecular Formula: | C18 H30 N2 O5 S |
| Smiles: | CC(C)S(=O)(=O)Oc1ccc(CN(CCOC)C(NC(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7137 |
| logD: | 2.7137 |
| logSw: | -3.217 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.042 |
| InChI Key: | SUAWDXGJBNZUKD-UHFFFAOYSA-N |