3-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
3-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl propane-2-sulfonate
3-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V027-5519 |
| Compound Name: | 3-{[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)Oc1cccc(CN(CCOC)C(NC(C)(C)C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7557 |
| logD: | 2.7556 |
| logSw: | -3.3233 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.042 |
| InChI Key: | FCOOSQNIOJUJCP-UHFFFAOYSA-N |