1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-4-nitro-1H-pyrazole-3-carboxamide
1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | 8017-0239 |
| Compound Name: | 1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 333.26 |
| Molecular Formula: | C13 H11 N5 O6 |
| Smiles: | C(C(Nc1ccc2c(c1)OCO2)=O)n1cc(c(C(N)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.4005 |
| logD: | 0.4004 |
| logSw: | -2.3947 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.695 |
| InChI Key: | BNFKMWRFJZZESN-UHFFFAOYSA-N |