N,N-dibenzyl-N'-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}thiourea
Chemical Structure Depiction of
N,N-dibenzyl-N'-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}thiourea
N,N-dibenzyl-N'-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}thiourea
Compound characteristics
| Compound ID: | Y503-4187 |
| Compound Name: | N,N-dibenzyl-N'-{1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazol-3-yl}thiourea |
| Molecular Weight: | 464.99 |
| Molecular Formula: | C25 H22 Cl F N4 S |
| Smiles: | C(c1ccccc1)N(Cc1ccccc1)C(Nc1ccn(Cc2ccc(cc2[Cl])F)n1)=S |
| Stereo: | ACHIRAL |
| logP: | 6.01 |
| logD: | 6.0095 |
| logSw: | -6.3782 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.3837 |
| InChI Key: | XLOZJKNKBJBSHU-UHFFFAOYSA-N |