5-({5-[(4-methoxyphenyl)sulfanyl]furan-2-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({5-[(4-methoxyphenyl)sulfanyl]furan-2-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({5-[(4-methoxyphenyl)sulfanyl]furan-2-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | C639-0049 |
| Compound Name: | 5-({5-[(4-methoxyphenyl)sulfanyl]furan-2-yl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C16 H12 N2 O4 S2 |
| Smiles: | COc1ccc(cc1)Sc1ccc(C=C2C(NC(NC2=O)=S)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.7397 |
| logD: | 3.3021 |
| logSw: | -4.2177 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.96 |
| InChI Key: | DEPZNBPYXGDKBD-UHFFFAOYSA-N |