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 |