4,5-dimethoxy-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Chemical Structure Depiction of
4,5-dimethoxy-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
4,5-dimethoxy-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | Y032-0585 |
| Compound Name: | 4,5-dimethoxy-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide |
| Molecular Weight: | 404.36 |
| Molecular Formula: | C16 H12 N4 O7 S |
| Smiles: | COc1cc(C(Nc2nc3ccc(cc3s2)[N+]([O-])=O)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3037 |
| logD: | 3.2264 |
| logSw: | -3.8242 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.814 |
| InChI Key: | AVAMKYZBZWNDTL-UHFFFAOYSA-N |