N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-N'-cyclohexylthiourea
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-N'-cyclohexylthiourea
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-N'-cyclohexylthiourea
Compound characteristics
| Compound ID: | Y500-4793 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-N'-cyclohexylthiourea |
| Molecular Weight: | 366.89 |
| Molecular Formula: | C17 H20 Cl F N4 S |
| Smiles: | C1CCC(CC1)NC(Nc1ccn(Cc2c(cccc2[Cl])F)n1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.3902 |
| logD: | 4.3902 |
| logSw: | -4.5465 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.064 |
| InChI Key: | JJBMODZMAMVXBN-UHFFFAOYSA-N |