3-[(acetyloxy)methyl]-7-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(acetyloxy)methyl]-7-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y501-9329 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 448.38 |
| Molecular Formula: | C16 H15 F3 N4 O6 S |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(c1cc(C(F)(F)F)n(C)n1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2529 |
| logD: | -5.3738 |
| logSw: | -1.8938 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.465 |
| InChI Key: | XKUDAVBEVWNXBA-UHFFFAOYSA-N |