N'-tert-butyl-N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]urea
Chemical Structure Depiction of
N'-tert-butyl-N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]urea
N'-tert-butyl-N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]urea
Compound characteristics
| Compound ID: | V012-3275 |
| Compound Name: | N'-tert-butyl-N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]urea |
| Molecular Weight: | 542.63 |
| Molecular Formula: | C29 H36 F2 N4 O4 |
| Smiles: | CCc1c(CN(CC2CCCO2)C(NC(C)(C)C)=O)c(n(c2ccc(cc2)OC)n1)Oc1ccc(cc1F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5211 |
| logD: | 5.521 |
| logSw: | -5.325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.071 |
| InChI Key: | OBZDZPFBXUHARI-JOCHJYFZSA-N |