1-{[(2H-1,3-benzodioxol-5-yl)methyl][(5-methylfuran-2-yl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(5-methylfuran-2-yl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(5-methylfuran-2-yl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V014-1830 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(5-methylfuran-2-yl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C20 H23 N O5 |
| Smiles: | Cc1ccc(CN(CC(COCC#C)O)Cc2ccc3c(c2)OCO3)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6943 |
| logD: | 2.0642 |
| logSw: | -2.5695 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.301 |
| InChI Key: | ZUQBJEVOFJMSQA-KRWDZBQOSA-N |