1-{[(1-methyl-5-phenoxy-3-phenyl-1H-pyrazol-4-yl)methyl][(oxolan-2-yl)methyl]amino}-3-[(prop-2-en-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-{[(1-methyl-5-phenoxy-3-phenyl-1H-pyrazol-4-yl)methyl][(oxolan-2-yl)methyl]amino}-3-[(prop-2-en-1-yl)oxy]propan-2-ol
1-{[(1-methyl-5-phenoxy-3-phenyl-1H-pyrazol-4-yl)methyl][(oxolan-2-yl)methyl]amino}-3-[(prop-2-en-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V009-5864 |
| Compound Name: | 1-{[(1-methyl-5-phenoxy-3-phenyl-1H-pyrazol-4-yl)methyl][(oxolan-2-yl)methyl]amino}-3-[(prop-2-en-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C28 H35 N3 O4 |
| Salt: | not_available |
| Smiles: | Cn1c(c(CN(CC(COCC=C)O)CC2CCCO2)c(c2ccccc2)n1)Oc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5178 |
| logD: | 2.8921 |
| logSw: | -3.6423 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.602 |
| InChI Key: | ZLSSPCGUIVBIJM-UHFFFAOYSA-N |