1-(2,3-dichlorophenyl)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(2,3-dichlorophenyl)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(2,3-dichlorophenyl)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3728-0982 |
| Compound Name: | 1-(2,3-dichlorophenyl)-5-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 502.33 |
| Molecular Formula: | C22 H13 Cl2 N3 O5 S |
| Smiles: | Cc1cc(ccc1c1ccc(/C=C2/C(NC(N(C2=O)c2cccc(c2[Cl])[Cl])=S)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6106 |
| logD: | 3.612 |
| logSw: | -6.0605 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.879 |
| InChI Key: | RGNWORZEITWCEX-UHFFFAOYSA-N |