sodium--7-{[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
Chemical Structure Depiction of
sodium--7-{[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
sodium--7-{[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
Compound characteristics
| Compound ID: | Y502-0299 |
| Compound Name: | sodium--7-{[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1) |
| Molecular Weight: | 491.22 |
| Molecular Formula: | C14 H11 Br F3 N4 O4 S |
| Salt: | Na+ |
| Smiles: | CC1CSC2C(C(N2C=1C([O-])=O)=O)NC(c1c(c(C(F)(F)F)nn1C)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2377 |
| logD: | 1.2376 |
| logSw: | -1.8338 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.78 |
| InChI Key: | GXHGACBSIKLFMM-UHFFFAOYSA-M |