ethyl 4-hydroxy-6-(3-nitrophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Chemical Structure Depiction of
ethyl 4-hydroxy-6-(3-nitrophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
ethyl 4-hydroxy-6-(3-nitrophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Compound characteristics
| Compound ID: | 3453-0482 |
| Compound Name: | ethyl 4-hydroxy-6-(3-nitrophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate |
| Molecular Weight: | 393.34 |
| Molecular Formula: | C14 H14 F3 N3 O5 S |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC1(C(F)(F)F)O)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3847 |
| logD: | 2.3847 |
| logSw: | -2.8611 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.273 |
| InChI Key: | XHAVSRIVCHTHDE-UHFFFAOYSA-N |