1-(4-fluorophenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-fluorophenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-fluorophenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3269-0111 |
| Compound Name: | 1-(4-fluorophenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C21 H15 F N4 O3 S |
| Smiles: | CC1C(\C=C2/C(NC(N(C2=O)c2ccc(cc2)F)=S)=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0662 |
| logD: | 1.4196 |
| logSw: | -2.7461 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.848 |
| InChI Key: | XNEPUFVOXNUGAD-INIZCTEOSA-N |