5-({acetyl[(oxolan-2-yl)methyl]amino}methyl)-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-({acetyl[(oxolan-2-yl)methyl]amino}methyl)-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
5-({acetyl[(oxolan-2-yl)methyl]amino}methyl)-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-0195 |
| Compound Name: | 5-({acetyl[(oxolan-2-yl)methyl]amino}methyl)-2-methoxyphenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 449.52 |
| Molecular Formula: | C22 H27 N O7 S |
| Smiles: | CC(N(CC1CCCO1)Cc1ccc(c(c1)OS(c1ccc(cc1)OC)(=O)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1508 |
| logD: | 2.1508 |
| logSw: | -2.7308 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.594 |
| InChI Key: | XGMYXHDLONKABU-LJQANCHMSA-N |