N-(2,6-dibromo-4-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(2,6-dibromo-4-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
N-(2,6-dibromo-4-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
Compound characteristics
Compound ID: | Y501-0395 |
Compound Name: | N-(2,6-dibromo-4-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide |
Molecular Weight: | 531.13 |
Molecular Formula: | C17 H14 Br2 F N5 O4 |
Smiles: | Cc1c(c(C)n(Cc2c(C(Nc3c(cc(cc3[Br])F)[Br])=O)noc2C)n1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.0897 |
logD: | 2.9798 |
logSw: | -3.4078 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 91.227 |
InChI Key: | FAQMQEKFUDXYBK-UHFFFAOYSA-N |