5-benzoyl-4-hydroxy-6-[5-(2-nitrophenyl)furan-2-yl]-4-(trifluoromethyl)-1,3-diazinan-2-one
Chemical Structure Depiction of
5-benzoyl-4-hydroxy-6-[5-(2-nitrophenyl)furan-2-yl]-4-(trifluoromethyl)-1,3-diazinan-2-one
5-benzoyl-4-hydroxy-6-[5-(2-nitrophenyl)furan-2-yl]-4-(trifluoromethyl)-1,3-diazinan-2-one
Compound characteristics
Compound ID: | 4618-0264 |
Compound Name: | 5-benzoyl-4-hydroxy-6-[5-(2-nitrophenyl)furan-2-yl]-4-(trifluoromethyl)-1,3-diazinan-2-one |
Molecular Weight: | 475.38 |
Molecular Formula: | C22 H16 F3 N3 O6 |
Smiles: | c1ccc(cc1)C(C1C(c2ccc(c3ccccc3[N+]([O-])=O)o2)NC(NC1(C(F)(F)F)O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.4055 |
logD: | 3.4051 |
logSw: | -3.8668 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 108.102 |
InChI Key: | QPTLBAXNYGFGCH-UHFFFAOYSA-N |