3-({[(4-methoxyphenyl)acetyl](2-methylpropyl)amino}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
3-({[(4-methoxyphenyl)acetyl](2-methylpropyl)amino}methyl)phenyl ethanesulfonate
3-({[(4-methoxyphenyl)acetyl](2-methylpropyl)amino}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V011-3832 |
| Compound Name: | 3-({[(4-methoxyphenyl)acetyl](2-methylpropyl)amino}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C22 H29 N O5 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(CC(C)C)C(Cc2ccc(cc2)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8538 |
| logD: | 3.8538 |
| logSw: | -4.0769 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.575 |
| InChI Key: | CMMDVYILHPROBI-UHFFFAOYSA-N |