2-[1-(4-chloro-2-nitrophenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-4-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]-4-nitro-1H-isoindole-1,3(2H)-dione
2-[1-(4-chloro-2-nitrophenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3061-4371 |
| Compound Name: | 2-[1-(4-chloro-2-nitrophenyl)-2-oxo-4-(thiophen-2-yl)azetidin-3-yl]-4-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 498.86 |
| Molecular Formula: | C21 H11 Cl N4 O7 S |
| Smiles: | c1cc2C(N(C3C(c4cccs4)N(C3=O)c3ccc(cc3[N+]([O-])=O)[Cl])C(c2c(c1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5923 |
| logD: | 2.5923 |
| logSw: | -3.8399 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 109.734 |
| InChI Key: | QUXGWSZOIMBBJI-UHFFFAOYSA-N |