N-{2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]ethyl}-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-{2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]ethyl}-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
N-{2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]ethyl}-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | 8017-4833 |
| Compound Name: | N-{2-[2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]ethyl}-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 496.25 |
| Molecular Formula: | C17 H15 Br F N7 O5 |
| Smiles: | Cc1c(c(nn1CC(NCCNC(c1nc(c2ccc(cc2)F)no1)=O)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.1227 |
| logD: | 1.1227 |
| logSw: | -2.4287 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 127.775 |
| InChI Key: | KCEXNNLTZAKCAV-UHFFFAOYSA-N |