5-[(1-{4-[(2-fluorophenyl)methoxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-[(1-{4-[(2-fluorophenyl)methoxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione
5-[(1-{4-[(2-fluorophenyl)methoxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 4082-0667 |
| Compound Name: | 5-[(1-{4-[(2-fluorophenyl)methoxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C25 H22 F N3 O4 |
| Smiles: | Cc1cc(\C=C2/C(NC(N(C)C2=O)=O)=O)c(C)n1c1ccc(cc1)OCc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 3.5798 |
| logD: | 3.535 |
| logSw: | -3.8922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.932 |
| InChI Key: | NTJAFEFKGBVVJS-UHFFFAOYSA-N |