N-{4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-N'-(2-phenylethyl)thiourea
Chemical Structure Depiction of
N-{4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-N'-(2-phenylethyl)thiourea
N-{4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-N'-(2-phenylethyl)thiourea
Compound characteristics
| Compound ID: | Y500-8830 |
| Compound Name: | N-{4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-N'-(2-phenylethyl)thiourea |
| Molecular Weight: | 423.34 |
| Molecular Formula: | C19 H17 Cl2 F N4 S |
| Smiles: | C(CNC(Nc1c(cn(Cc2c(cccc2[Cl])F)n1)[Cl])=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4825 |
| logD: | 4.4811 |
| logSw: | -4.5673 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.146 |
| InChI Key: | RPHQRZVCHWLPGM-UHFFFAOYSA-N |