N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-4-fluorobenzamide
Chemical Structure Depiction of
N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-4-fluorobenzamide
N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-4-fluorobenzamide
Compound characteristics
| Compound ID: | 1189-2007 |
| Compound Name: | N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-4-fluorobenzamide |
| Molecular Weight: | 384.43 |
| Molecular Formula: | C19 H17 F N4 O2 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(NC(c1ccc(cc1)F)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 2.0735 |
| logD: | 1.8915 |
| logSw: | -2.5973 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.621 |
| InChI Key: | XWTFFLKSJSWTRT-UHFFFAOYSA-N |