5-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | C639-0050 |
| Compound Name: | 5-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 378.85 |
| Molecular Formula: | C16 H11 Cl N2 O3 S2 |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1ccc(C=C2C(NC(NC2=O)=S)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.9308 |
| logD: | 3.4932 |
| logSw: | -4.4798 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.416 |
| InChI Key: | MDFXWADVZXILOE-UHFFFAOYSA-N |