5-nitro-2-{2-oxo-4-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-nitro-2-{2-oxo-4-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl}-1H-isoindole-1,3(2H)-dione
5-nitro-2-{2-oxo-4-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3061-4291 |
| Compound Name: | 5-nitro-2-{2-oxo-4-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]azetidin-3-yl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 487.41 |
| Molecular Formula: | C22 H12 F3 N3 O5 S |
| Smiles: | c1cc(cc(c1)N1C(C(C1=O)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)c1cccs1)C(F)(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.241 |
| logD: | 4.241 |
| logSw: | -4.6225 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.255 |
| InChI Key: | KWNKYFPTZSCBNK-UHFFFAOYSA-N |