3-(2-methyl-5-nitroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(2-methyl-5-nitroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(2-methyl-5-nitroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8006-4532 |
| Compound Name: | 3-(2-methyl-5-nitroanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 362.32 |
| Molecular Formula: | C14 H10 N4 O6 S |
| Smiles: | Cc1ccc(cc1NC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5091 |
| logD: | 1.4298 |
| logSw: | -2.9994 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.91 |
| InChI Key: | OGBGDUIPLLXPQJ-UHFFFAOYSA-N |