N'-tert-butyl-N-{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]urea
Chemical Structure Depiction of
N'-tert-butyl-N-{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]urea
N'-tert-butyl-N-{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]urea
Compound characteristics
| Compound ID: | V002-0636 |
| Compound Name: | N'-tert-butyl-N-{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]urea |
| Molecular Weight: | 515.03 |
| Molecular Formula: | C27 H32 Cl F N4 O3 |
| Smiles: | Cc1c(CN(CC2CCCO2)C(NC(C)(C)C)=O)c(n(c2ccc(cc2)[Cl])n1)Oc1cccc(c1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5721 |
| logD: | 5.5721 |
| logSw: | -5.9181 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.752 |
| InChI Key: | XINTXQLDBBEDTN-HSZRJFAPSA-N |