6-nitro-3-(3-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
6-nitro-3-(3-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
6-nitro-3-(3-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8005-1577 |
| Compound Name: | 6-nitro-3-(3-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 348.29 |
| Molecular Formula: | C13 H8 N4 O6 S |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)NC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5225 |
| logD: | 1.6562 |
| logSw: | -3.0639 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.607 |
| InChI Key: | ULQPZISHGHPUKD-UHFFFAOYSA-N |