1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,3-dimethoxyphenyl)methyl]amino}-3-(benzyloxy)propan-2-ol
Chemical Structure Depiction of
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,3-dimethoxyphenyl)methyl]amino}-3-(benzyloxy)propan-2-ol
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,3-dimethoxyphenyl)methyl]amino}-3-(benzyloxy)propan-2-ol
Compound characteristics
| Compound ID: | V029-0312 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,3-dimethoxyphenyl)methyl]amino}-3-(benzyloxy)propan-2-ol |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C27 H31 N O6 |
| Salt: | not_available |
| Smiles: | COc1cccc(CN(CC(COCc2ccccc2)O)Cc2ccc3c(c2)OCO3)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3035 |
| logD: | 2.415 |
| logSw: | -4.4457 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.195 |
| InChI Key: | QCERPLVYOMCUAO-QHCPKHFHSA-N |