5-{[1-(4-fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[1-(4-fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[1-(4-fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | Y508-2795 |
| Compound Name: | 5-{[1-(4-fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 346.34 |
| Molecular Formula: | C15 H11 F N4 O3 S |
| Smiles: | Cc1c(C=C2C(NC(NC2=O)=S)=O)c(n(c2ccc(cc2)F)n1)O |
| Stereo: | ACHIRAL |
| logP: | 1.354 |
| logD: | -0.8983 |
| logSw: | -2.2435 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.476 |
| InChI Key: | BQJVKHLHPAEXKP-UHFFFAOYSA-N |