4-hydroxy-5-(4-methylbenzoyl)-6-[5-(2-nitrophenyl)furan-2-yl]-4-(trifluoromethyl)-1,3-diazinan-2-one
Chemical Structure Depiction of
4-hydroxy-5-(4-methylbenzoyl)-6-[5-(2-nitrophenyl)furan-2-yl]-4-(trifluoromethyl)-1,3-diazinan-2-one
4-hydroxy-5-(4-methylbenzoyl)-6-[5-(2-nitrophenyl)furan-2-yl]-4-(trifluoromethyl)-1,3-diazinan-2-one
Compound characteristics
| Compound ID: | 4618-0108 |
| Compound Name: | 4-hydroxy-5-(4-methylbenzoyl)-6-[5-(2-nitrophenyl)furan-2-yl]-4-(trifluoromethyl)-1,3-diazinan-2-one |
| Molecular Weight: | 489.41 |
| Molecular Formula: | C23 H18 F3 N3 O6 |
| Smiles: | Cc1ccc(cc1)C(C1C(c2ccc(c3ccccc3[N+]([O-])=O)o2)NC(NC1(C(F)(F)F)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9339 |
| logD: | 3.9336 |
| logSw: | -4.0232 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.102 |
| InChI Key: | QROPNDQWOQPCBZ-UHFFFAOYSA-N |