4-({[(4-chlorophenoxy)acetyl][(oxolan-2-yl)methyl]amino}methyl)phenyl methanesulfonate
Chemical Structure Depiction of
4-({[(4-chlorophenoxy)acetyl][(oxolan-2-yl)methyl]amino}methyl)phenyl methanesulfonate
4-({[(4-chlorophenoxy)acetyl][(oxolan-2-yl)methyl]amino}methyl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | V006-8259 |
| Compound Name: | 4-({[(4-chlorophenoxy)acetyl][(oxolan-2-yl)methyl]amino}methyl)phenyl methanesulfonate |
| Molecular Weight: | 453.94 |
| Molecular Formula: | C21 H24 Cl N O6 S |
| Smiles: | CS(=O)(=O)Oc1ccc(CN(CC2CCCO2)C(COc2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4883 |
| logD: | 2.4883 |
| logSw: | -2.9465 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.953 |
| InChI Key: | IWTIXAZLRWTDBC-HXUWFJFHSA-N |