1-(2-fluorophenyl)-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(2-fluorophenyl)-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(2-fluorophenyl)-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8013-9765 |
| Compound Name: | 1-(2-fluorophenyl)-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 467.43 |
| Molecular Formula: | C22 H14 F N3 O6 S |
| Smiles: | COc1ccc(cc1c1ccc(/C=C2/C(NC(N(C2=O)c2ccccc2F)=S)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6866 |
| logD: | 2.5952 |
| logSw: | -4.2055 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.509 |
| InChI Key: | DMGQOACPDZCETA-UHFFFAOYSA-N |