2-benzyl-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
Chemical Structure Depiction of
2-benzyl-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
2-benzyl-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
Compound characteristics
| Compound ID: | 8011-6658 |
| Compound Name: | 2-benzyl-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione |
| Molecular Weight: | 318.31 |
| Molecular Formula: | C14 H10 N2 O5 S |
| Smiles: | C(c1ccccc1)N1C(c2ccc(cc2S1(=O)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0873 |
| logD: | 2.0873 |
| logSw: | -3.2206 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.565 |
| InChI Key: | AYFDJVUCZAHQPT-UHFFFAOYSA-N |