1-{[(2H-1,3-benzodioxol-5-yl)methyl][(3,4-dimethoxyphenyl)methyl]amino}hex-5-en-2-ol
Chemical Structure Depiction of
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(3,4-dimethoxyphenyl)methyl]amino}hex-5-en-2-ol
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(3,4-dimethoxyphenyl)methyl]amino}hex-5-en-2-ol
Compound characteristics
| Compound ID: | V012-7990 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(3,4-dimethoxyphenyl)methyl]amino}hex-5-en-2-ol |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C23 H29 N O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(CN(CC(CCC=C)O)Cc2ccc3c(c2)OCO3)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6172 |
| logD: | 1.5395 |
| logSw: | -3.5712 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.946 |
| InChI Key: | XUIOHAAKDSHHNA-IBGZPJMESA-N |