3-{[(2H-1,3-benzodioxol-5-yl)methyl][(2-methylphenyl)methyl]amino}-2-hydroxypropyl butanoate
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl][(2-methylphenyl)methyl]amino}-2-hydroxypropyl butanoate
3-{[(2H-1,3-benzodioxol-5-yl)methyl][(2-methylphenyl)methyl]amino}-2-hydroxypropyl butanoate
Compound characteristics
| Compound ID: | V030-8250 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl][(2-methylphenyl)methyl]amino}-2-hydroxypropyl butanoate |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C23 H29 N O5 |
| Salt: | not_available |
| Smiles: | CCCC(=O)OCC(CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.567 |
| logD: | 3.6542 |
| logSw: | -4.294 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.219 |
| InChI Key: | BBQUCCYAODIDTL-FQEVSTJZSA-N |