3-(4-methyl-2-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(4-methyl-2-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(4-methyl-2-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8007-4349 |
| Compound Name: | 3-(4-methyl-2-nitroanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 317.32 |
| Molecular Formula: | C14 H11 N3 O4 S |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7924 |
| logD: | 0.8036 |
| logSw: | -3.6528 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.227 |
| InChI Key: | MPRPXPIEAUDPLA-UHFFFAOYSA-N |