N'-tert-butyl-N-{[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]urea
Chemical Structure Depiction of
N'-tert-butyl-N-{[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]urea
N'-tert-butyl-N-{[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]urea
Compound characteristics
| Compound ID: | V027-0165 |
| Compound Name: | N'-tert-butyl-N-{[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]urea |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C29 H37 F N4 O3 |
| Salt: | not_available |
| Smiles: | CCc1c(CN(CC2CCCO2)C(NC(C)(C)C)=O)c(n(c2ccc(cc2)F)n1)Oc1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9832 |
| logD: | 5.9832 |
| logSw: | -5.4218 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.441 |
| InChI Key: | SGUROUQEJCWEPN-XMMPIXPASA-N |