N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-6403 |
| Compound Name: | N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 319.3 |
| Molecular Formula: | C12 H9 N5 O4 S |
| Smiles: | COc1ccc2c(c1)sc(NC(c1c(c[nH]n1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.6128 |
| logD: | 2.5466 |
| logSw: | -3.2964 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.177 |
| InChI Key: | YPRWOLXIESOQEG-UHFFFAOYSA-N |