3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Chemical Structure Depiction of
3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | Y032-1289 |
| Compound Name: | 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide |
| Molecular Weight: | 279.31 |
| Molecular Formula: | C12 H13 N3 O3 S |
| Smiles: | CC(C)CC(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4815 |
| logD: | 3.4813 |
| logSw: | -3.8772 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.531 |
| InChI Key: | ZOBQBSPDZKNQOV-UHFFFAOYSA-N |