N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-yl}-N'-cyclopentylthiourea
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-yl}-N'-cyclopentylthiourea
N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-yl}-N'-cyclopentylthiourea
Compound characteristics
| Compound ID: | Y501-1544 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-yl}-N'-cyclopentylthiourea |
| Molecular Weight: | 352.86 |
| Molecular Formula: | C16 H18 Cl F N4 S |
| Smiles: | C1CCC(C1)NC(Nc1cnn(Cc2c(cccc2[Cl])F)c1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.7151 |
| logD: | 3.7151 |
| logSw: | -4.069 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 34.98 |
| InChI Key: | DNMIZXKAENSXIH-UHFFFAOYSA-N |