5-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
5-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3288-0518 |
| Compound Name: | 5-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 556.57 |
| Molecular Formula: | C29 H21 F N4 O5 S |
| Smiles: | Cc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)F)=O)=O)c(C)n1c1ccc(cc1)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.337 |
| logD: | 5.2567 |
| logSw: | -5.4027 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.165 |
| InChI Key: | DDUUCXNRFWLHSP-UHFFFAOYSA-N |