ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Chemical Structure Depiction of
ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Compound characteristics
| Compound ID: | 4554-4705 |
| Compound Name: | ethyl 4-hydroxy-6-(5-methylfuran-2-yl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate |
| Molecular Weight: | 352.33 |
| Molecular Formula: | C13 H15 F3 N2 O4 S |
| Smiles: | CCOC(C1C(c2ccc(C)o2)NC(NC1(C(F)(F)F)O)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2427 |
| logD: | 2.2427 |
| logSw: | -2.7733 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.984 |
| InChI Key: | TYGJYWAOSBTOMZ-UHFFFAOYSA-N |