sodium--3-[(acetyloxy)methyl]-7-[(3,5-dimethyl-1-phenyl-1H-pyrazole-4-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
Chemical Structure Depiction of
sodium--3-[(acetyloxy)methyl]-7-[(3,5-dimethyl-1-phenyl-1H-pyrazole-4-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
sodium--3-[(acetyloxy)methyl]-7-[(3,5-dimethyl-1-phenyl-1H-pyrazole-4-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
Compound characteristics
| Compound ID: | Y502-0303 |
| Compound Name: | sodium--3-[(acetyloxy)methyl]-7-[(3,5-dimethyl-1-phenyl-1H-pyrazole-4-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1) |
| Molecular Weight: | 492.48 |
| Molecular Formula: | C22 H21 N4 O6 S |
| Salt: | Na+ |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C([O-])=O)=O)NC(c1c(C)nn(c2ccccc2)c1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7889 |
| logD: | 0.7888 |
| logSw: | -2.0002 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.367 |
| InChI Key: | QMBKXIAIQDNNQO-UHFFFAOYSA-M |