4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-nitro-1H-pyrazole-3-carboxamide
4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-6199 |
| Compound Name: | 4-bromo-N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 407.13 |
| Molecular Formula: | C12 H9 Br F2 N4 O5 |
| Smiles: | COc1cc(ccc1OC(F)F)NC(c1c(c([nH]n1)[N+]([O-])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1372 |
| logD: | 2.0785 |
| logSw: | -3.0743 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.498 |
| InChI Key: | CKWMPHRRGMVPOB-UHFFFAOYSA-N |