5-({5-[(2-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({5-[(2-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({5-[(2-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | C639-0048 |
| Compound Name: | 5-({5-[(2-chlorophenyl)sulfanyl]furan-2-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 364.83 |
| Molecular Formula: | C15 H9 Cl N2 O3 S2 |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)c1ccc(o1)Sc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.89 |
| logD: | 3.4524 |
| logSw: | -4.2226 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.416 |
| InChI Key: | SQEQUKHMCDLNAK-UHFFFAOYSA-N |