ethyl 4-hydroxy-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Chemical Structure Depiction of
ethyl 4-hydroxy-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
ethyl 4-hydroxy-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Compound characteristics
Compound ID: | 4593-7443 |
Compound Name: | ethyl 4-hydroxy-6-(3-nitrophenyl)-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate |
Molecular Weight: | 377.27 |
Molecular Formula: | C14 H14 F3 N3 O6 |
Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC1(C(F)(F)F)O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.6973 |
logD: | 1.6972 |
logSw: | -2.1966 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 107.29 |
InChI Key: | BVBNHNYFVGUWBH-UHFFFAOYSA-N |