1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V009-0694 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethylphenyl)methyl]amino}-3-[(prop-2-yn-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C23 H27 N O4 |
| Smiles: | Cc1ccc(C)c(CN(CC(COCC#C)O)Cc2ccc3c(c2)OCO3)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1353 |
| logD: | 3.7869 |
| logSw: | -4.195 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.038 |
| InChI Key: | RJDIKGUVEBSJRR-NRFANRHFSA-N |