N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | 8015-0778 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 304.26 |
| Molecular Formula: | C13 H12 N4 O5 |
| Smiles: | Cn1cc(c(C(Nc2ccc3c(c2)OCCO3)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.3492 |
| logD: | 0.294 |
| logSw: | -2.097 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.589 |
| InChI Key: | RJRJXYMYBXKXAB-UHFFFAOYSA-N |