3-{[(2H-1,3-benzodioxol-5-yl)methyl][(3,4-dimethoxyphenyl)methyl]amino}-2-hydroxypropyl butanoate
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl][(3,4-dimethoxyphenyl)methyl]amino}-2-hydroxypropyl butanoate
3-{[(2H-1,3-benzodioxol-5-yl)methyl][(3,4-dimethoxyphenyl)methyl]amino}-2-hydroxypropyl butanoate
Compound characteristics
| Compound ID: | V009-8874 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl][(3,4-dimethoxyphenyl)methyl]amino}-2-hydroxypropyl butanoate |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C24 H31 N O7 |
| Salt: | not_available |
| Smiles: | CCCC(=O)OCC(CN(Cc1ccc(c(c1)OC)OC)Cc1ccc2c(c1)OCO2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3673 |
| logD: | 1.1069 |
| logSw: | -3.2004 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.48 |
| InChI Key: | HWCJLQJZPFTAJY-IBGZPJMESA-N |