3-(2,5-dichloroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(2,5-dichloroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(2,5-dichloroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8006-4540 |
| Compound Name: | 3-(2,5-dichloroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 372.18 |
| Molecular Formula: | C13 H7 Cl2 N3 O4 S |
| Smiles: | c1cc2C(Nc3cc(ccc3[Cl])[Cl])=NS(c2cc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5708 |
| logD: | 1.6202 |
| logSw: | -4.0785 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.528 |
| InChI Key: | LANZEBSPTVKAOC-UHFFFAOYSA-N |