3-{2-[(3-bromo-4-methoxyphenyl)methylidene]-1-methylhydrazinyl}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-{2-[(3-bromo-4-methoxyphenyl)methylidene]-1-methylhydrazinyl}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-{2-[(3-bromo-4-methoxyphenyl)methylidene]-1-methylhydrazinyl}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8002-9962 |
| Compound Name: | 3-{2-[(3-bromo-4-methoxyphenyl)methylidene]-1-methylhydrazinyl}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 453.27 |
| Molecular Formula: | C16 H13 Br N4 O5 S |
| Smiles: | CN(C1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O)/N=C/c1ccc(c(c1)[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 2.6539 |
| logD: | 2.6539 |
| logSw: | -3.2211 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 92.438 |
| InChI Key: | WYCWRURKMZPRDU-UHFFFAOYSA-N |