2-[1-(4-chloro-2-nitrophenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[1-(4-chloro-2-nitrophenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[1-(4-chloro-2-nitrophenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3061-4447 |
| Compound Name: | 2-[1-(4-chloro-2-nitrophenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 498.86 |
| Molecular Formula: | C21 H11 Cl N4 O7 S |
| Smiles: | c1cc(C2C(C(N2c2ccc(cc2[N+]([O-])=O)[Cl])=O)N2C(c3ccc(cc3C2=O)[N+]([O-])=O)=O)sc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7699 |
| logD: | 3.7699 |
| logSw: | -4.3164 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 110.035 |
| InChI Key: | AQHKTGCHTABXCG-UHFFFAOYSA-N |