N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-[(4-fluorophenyl)methyl]thiourea
Chemical Structure Depiction of
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-[(4-fluorophenyl)methyl]thiourea
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-[(4-fluorophenyl)methyl]thiourea
Compound characteristics
| Compound ID: | Y502-5212 |
| Compound Name: | N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-[(4-fluorophenyl)methyl]thiourea |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C21 H23 F N4 S |
| Smiles: | Cc1ccccc1Cn1c(C)c(c(C)n1)NC(NCc1ccc(cc1)F)=S |
| Stereo: | ACHIRAL |
| logP: | 3.6698 |
| logD: | 3.6698 |
| logSw: | -3.8197 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 33.269 |
| InChI Key: | YJOWBLVTGJUYCR-UHFFFAOYSA-N |