4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | 8018-4768 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide |
| Molecular Weight: | 404.4 |
| Molecular Formula: | C16 H16 N6 O5 S |
| Smiles: | Cc1c(c(C)n(CCCC(Nc2nc3ccc(cc3s2)[N+]([O-])=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0929 |
| logD: | 2.0926 |
| logSw: | -3.0456 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.571 |
| InChI Key: | HVXKLSWTDZZJHU-UHFFFAOYSA-N |