5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl propane-2-sulfonate
5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V027-7475 |
| Compound Name: | 5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 442.57 |
| Molecular Formula: | C21 H34 N2 O6 S |
| Smiles: | CC(C)S(=O)(=O)Oc1cc(CN(CC2CCCO2)C(NC(C)(C)C)=O)ccc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7296 |
| logD: | 2.7295 |
| logSw: | -3.3843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.821 |
| InChI Key: | SXTMXRPWLHAIND-QGZVFWFLSA-N |