N-(3-chloro-4-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea
N-(3-chloro-4-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea
Compound characteristics
| Compound ID: | Y502-3467 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-(1,3-dimethyl-1H-pyrazol-4-yl)thiourea |
| Molecular Weight: | 298.77 |
| Molecular Formula: | C12 H12 Cl F N4 S |
| Smiles: | Cc1c(cn(C)n1)NC(Nc1ccc(c(c1)[Cl])F)=S |
| Stereo: | ACHIRAL |
| logP: | 2.7922 |
| logD: | 2.792 |
| logSw: | -3.4848 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 33.525 |
| InChI Key: | MMHCZJBNWWTZLN-UHFFFAOYSA-N |