5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8014-6483 |
| Compound Name: | 5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C22 H18 F N5 O3 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)N/C=C1/C(NC(N(C1=O)c1ccccc1F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1457 |
| logD: | -0.9047 |
| logSw: | -1.8709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.91 |
| InChI Key: | OVVBPQTWTIHWFQ-UHFFFAOYSA-N |