1-(4-fluorophenyl)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(4-fluorophenyl)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
1-(4-fluorophenyl)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C508-0126 |
| Compound Name: | 1-(4-fluorophenyl)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 451.37 |
| Molecular Formula: | C22 H14 F N3 O7 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)F)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.5221 |
| logD: | 3.2094 |
| logSw: | -4.0038 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.585 |
| InChI Key: | VTHVDFVHSSHDAH-UHFFFAOYSA-N |