6-{[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Chemical Structure Depiction of
6-{[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6-{[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y502-0297 |
| Compound Name: | 6-{[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Molecular Weight: | 471.25 |
| Molecular Formula: | C14 H14 Br F3 N4 O4 S |
| Smiles: | CC1(C)C(C(O)=O)N2C(C(C2=O)NC(c2c(c(C(F)(F)F)nn2C)[Br])=O)S1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0269 |
| logD: | -2.5188 |
| logSw: | -2.3007 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.089 |
| InChI Key: | SPJHKWPYVKGUCN-UHFFFAOYSA-N |