1-(4-chlorophenyl)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-chlorophenyl)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-chlorophenyl)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4299-0224 |
| Compound Name: | 1-(4-chlorophenyl)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 467.89 |
| Molecular Formula: | C22 H14 Cl N3 O5 S |
| Smiles: | Cc1cc(ccc1c1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Cl])=S)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9098 |
| logD: | 4.5236 |
| logSw: | -5.0157 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.18 |
| InChI Key: | JERBJOUAOFVBBW-UHFFFAOYSA-N |