3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-6449 |
| Compound Name: | 3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 349.32 |
| Molecular Formula: | C13 H11 N5 O5 S |
| Smiles: | COc1ccc2c(c1)sc(NC(c1c(c(n[nH]1)OC)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.0642 |
| logD: | 3.02 |
| logSw: | -3.6817 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.247 |
| InChI Key: | JHPFPXGJSSWFRH-UHFFFAOYSA-N |