3-(4,5-dimethyl-2-nitroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(4,5-dimethyl-2-nitroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(4,5-dimethyl-2-nitroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8006-6510 |
| Compound Name: | 3-(4,5-dimethyl-2-nitroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 376.35 |
| Molecular Formula: | C15 H12 N4 O6 S |
| Smiles: | Cc1cc(c(cc1C)[N+]([O-])=O)NC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4754 |
| logD: | 1.4965 |
| logSw: | -3.9943 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.609 |
| InChI Key: | DTVOYLMLJGGTSR-UHFFFAOYSA-N |