4-azido-2-benzyl-6-nitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione
Chemical Structure Depiction of
4-azido-2-benzyl-6-nitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione
4-azido-2-benzyl-6-nitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8012-3308 |
| Compound Name: | 4-azido-2-benzyl-6-nitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione |
| Molecular Weight: | 343.32 |
| Molecular Formula: | C14 H9 N5 O4 S |
| Smiles: | C(c1ccccc1)N1C(c2c(cc(cc2S1=O)[N+]([O-])=O)N=[N+]=[N-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2227 |
| logD: | 2.2227 |
| logSw: | -2.7694 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 105.834 |
| InChI Key: | MZFYLGFWGUCJPZ-UHFFFAOYSA-N |