N-(3-chloro-4-fluorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
N-(3-chloro-4-fluorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
Compound characteristics
| Compound ID: | C270-0030 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea |
| Molecular Weight: | 390.86 |
| Molecular Formula: | C18 H16 Cl F N4 O S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(Nc1ccc(c(c1)[Cl])F)=S |
| Stereo: | ACHIRAL |
| logP: | 3.1714 |
| logD: | 3.1667 |
| logSw: | -3.6115 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.442 |
| InChI Key: | XSFKGEYHEGSMIK-UHFFFAOYSA-N |