3-{[(2H-1,3-benzodioxol-5-yl)methyl](benzyl)amino}-2-hydroxypropyl butanoate
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl](benzyl)amino}-2-hydroxypropyl butanoate
3-{[(2H-1,3-benzodioxol-5-yl)methyl](benzyl)amino}-2-hydroxypropyl butanoate
Compound characteristics
| Compound ID: | V019-2669 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl](benzyl)amino}-2-hydroxypropyl butanoate |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C22 H27 N O5 |
| Salt: | not_available |
| Smiles: | CCCC(=O)OCC(CN(Cc1ccccc1)Cc1ccc2c(c1)OCO2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7943 |
| logD: | 2.6868 |
| logSw: | -3.7952 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.219 |
| InChI Key: | NSFZPTZSGGLOEN-IBGZPJMESA-N |