3-(2-methyl-5-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(2-methyl-5-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(2-methyl-5-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8005-1575 |
| Compound Name: | 3-(2-methyl-5-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 317.32 |
| Molecular Formula: | C14 H11 N3 O4 S |
| Smiles: | Cc1ccc(cc1NC1c2ccccc2S(N=1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2997 |
| logD: | 1.3746 |
| logSw: | -2.9288 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.528 |
| InChI Key: | PGXGIQBLCNLJBP-UHFFFAOYSA-N |