N-(3-acetylphenyl)-N'-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}urea
Chemical Structure Depiction of
N-(3-acetylphenyl)-N'-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}urea
N-(3-acetylphenyl)-N'-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}urea
Compound characteristics
| Compound ID: | Y205-1887 |
| Compound Name: | N-(3-acetylphenyl)-N'-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}urea |
| Molecular Weight: | 414.87 |
| Molecular Formula: | C21 H20 Cl F N4 O2 |
| Smiles: | CC(c1cccc(c1)NC(Nc1c(C)nn(Cc2c(cccc2[Cl])F)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6553 |
| logD: | 3.6552 |
| logSw: | -4.0989 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.254 |
| InChI Key: | VPLXDTULFLQBGL-UHFFFAOYSA-N |