5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl propane-2-sulfonate
5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V024-8192 |
| Compound Name: | 5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C22 H35 N O6 S |
| Smiles: | CC(C)S(=O)(=O)Oc1cc(CN(CC2CCCO2)C(CC(C)(C)C)=O)ccc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1735 |
| logD: | 3.1735 |
| logSw: | -3.3701 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.326 |
| InChI Key: | LRFBJFIZKDNSFX-GOSISDBHSA-N |