1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,3-dimethoxyphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,3-dimethoxyphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,3-dimethoxyphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V011-5809 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,3-dimethoxyphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C23 H27 N O6 |
| Salt: | not_available |
| Smiles: | COc1cccc(CN(CC(COCC#C)O)Cc2ccc3c(c2)OCO3)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.961 |
| logD: | 1.4801 |
| logSw: | -3.0273 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.386 |
| InChI Key: | STCXMSKWYDWSTC-IBGZPJMESA-N |