5-(4-chlorobenzoyl)-4-hydroxy-6-[5-(3-nitrophenyl)furan-2-yl]-4-(trifluoromethyl)-1,3-diazinan-2-one
Chemical Structure Depiction of
5-(4-chlorobenzoyl)-4-hydroxy-6-[5-(3-nitrophenyl)furan-2-yl]-4-(trifluoromethyl)-1,3-diazinan-2-one
5-(4-chlorobenzoyl)-4-hydroxy-6-[5-(3-nitrophenyl)furan-2-yl]-4-(trifluoromethyl)-1,3-diazinan-2-one
Compound characteristics
| Compound ID: | 4618-0647 |
| Compound Name: | 5-(4-chlorobenzoyl)-4-hydroxy-6-[5-(3-nitrophenyl)furan-2-yl]-4-(trifluoromethyl)-1,3-diazinan-2-one |
| Molecular Weight: | 509.82 |
| Molecular Formula: | C22 H15 Cl F3 N3 O6 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)c1ccc(C2C(C(c3ccc(cc3)[Cl])=O)C(C(F)(F)F)(NC(N2)=O)O)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.466 |
| logD: | 4.4657 |
| logSw: | -4.8162 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.403 |
| InChI Key: | NFGMXNWXOWBAAO-UHFFFAOYSA-N |