2-benzyl-4,6-dinitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione
Chemical Structure Depiction of
2-benzyl-4,6-dinitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione
2-benzyl-4,6-dinitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8010-7782 |
| Compound Name: | 2-benzyl-4,6-dinitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione |
| Molecular Weight: | 347.3 |
| Molecular Formula: | C14 H9 N3 O6 S |
| Smiles: | C(c1ccccc1)N1C(c2c(cc(cc2S1=O)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1613 |
| logD: | 2.1613 |
| logSw: | -2.7817 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 98.422 |
| InChI Key: | VFCCFEFDRJWYMY-UHFFFAOYSA-N |