3-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
3-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
3-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V017-4050 |
| Compound Name: | 3-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C22 H28 N2 O6 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(CC2CCCO2)C(Nc2ccccc2OC)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9662 |
| logD: | 2.9662 |
| logSw: | -3.5026 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.694 |
| InChI Key: | ZMKJNBJCZOYZQG-LJQANCHMSA-N |