1-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methoxyphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methoxyphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methoxyphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V030-6832 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methoxyphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 383.44 |
| Molecular Formula: | C22 H25 N O5 |
| Salt: | not_available |
| Smiles: | COc1cccc(CN(CC(COCC#C)O)Cc2ccc3c(c2)OCO3)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9906 |
| logD: | 1.5336 |
| logSw: | -2.9782 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.582 |
| InChI Key: | GHZLKJJMLZGCFM-IBGZPJMESA-N |