N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(4-methylbenzene-1-sulfonyl)acetamide
Chemical Structure Depiction of
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(4-methylbenzene-1-sulfonyl)acetamide
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(4-methylbenzene-1-sulfonyl)acetamide
Compound characteristics
| Compound ID: | G856-7152 |
| Compound Name: | N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(4-methylbenzene-1-sulfonyl)acetamide |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C17 H15 N3 O6 S2 |
| Smiles: | Cc1ccc(cc1)S(CC(Nc1nc2c(cc(cc2s1)[N+]([O-])=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1378 |
| logD: | 3.1377 |
| logSw: | -3.5368 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.696 |
| InChI Key: | TYMFXUIZSXFJFM-UHFFFAOYSA-N |