4-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl propane-2-sulfonate
4-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-7664 |
| Compound Name: | 4-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl propane-2-sulfonate |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C20 H32 N2 O5 S |
| Smiles: | CC(C)S(=O)(=O)Oc1ccc(CN(CC2CCCO2)C(NC(C)(C)C)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9083 |
| logD: | 2.9082 |
| logSw: | -3.3745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.104 |
| InChI Key: | BYEIAWYHUYETND-GOSISDBHSA-N |