5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3269-0140 |
| Compound Name: | 5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H18 F N3 O2 S |
| Smiles: | Cc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)F)=S)=O)c(C)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4678 |
| logD: | 3.362 |
| logSw: | -3.9167 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.893 |
| InChI Key: | XWLCVNNIXPMFGJ-UHFFFAOYSA-N |