1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-4-nitro-1H-pyrazole-3-carboxamide
1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | 8016-9288 |
| Compound Name: | 1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 369.13 |
| Molecular Formula: | C12 H9 Br N4 O5 |
| Smiles: | C(c1cc2c(cc1[Br])OCO2)n1cc(c(C(N)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4599 |
| logD: | 1.4599 |
| logSw: | -1.9785 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.546 |
| InChI Key: | NBOUEIIBAMLGLX-UHFFFAOYSA-N |