1-[{[5-(2,4-difluorophenoxy)-3-ethyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino]-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-[{[5-(2,4-difluorophenoxy)-3-ethyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino]-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
1-[{[5-(2,4-difluorophenoxy)-3-ethyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino]-3-[(prop-2-yn-1-yl)oxy]propan-2-ol
Compound characteristics
| Compound ID: | V031-0453 |
| Compound Name: | 1-[{[5-(2,4-difluorophenoxy)-3-ethyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino]-3-[(prop-2-yn-1-yl)oxy]propan-2-ol |
| Molecular Weight: | 499.56 |
| Molecular Formula: | C27 H31 F2 N3 O4 |
| Salt: | not_available |
| Smiles: | CCc1c(CN(CCOC)CC(COCC#C)O)c(n(c2ccccc2)n1)Oc1ccc(cc1F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9562 |
| logD: | 3.5147 |
| logSw: | -4.1095 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.972 |
| InChI Key: | BSQSXHIPFXZPHH-QFIPXVFZSA-N |