3-({acetyl[(oxolan-2-yl)methyl]amino}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({acetyl[(oxolan-2-yl)methyl]amino}methyl)phenyl 4-methoxybenzene-1-sulfonate
3-({acetyl[(oxolan-2-yl)methyl]amino}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4470 |
| Compound Name: | 3-({acetyl[(oxolan-2-yl)methyl]amino}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C21 H25 N O6 S |
| Smiles: | CC(N(CC1CCCO1)Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.456 |
| logD: | 2.456 |
| logSw: | -2.7376 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.877 |
| InChI Key: | NKBFIAMDQSXJAP-HXUWFJFHSA-N |