sodium--3-[(acetyloxy)methyl]-7-[(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}furan-2-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-[(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}furan-2-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
sodium--3-[(acetyloxy)methyl]-7-[(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}furan-2-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
Compound characteristics
| Compound ID: | Y502-4973 |
| Compound Name: | sodium--3-[(acetyloxy)methyl]-7-[(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}furan-2-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1) |
| Molecular Weight: | 550.56 |
| Molecular Formula: | C26 H27 N2 O8 S |
| Salt: | Na+ |
| Smiles: | CC(C)c1ccc(C)cc1OCc1ccc(C(NC2C3N(C(=C(COC(C)=O)CS3)C([O-])=O)C2=O)=O)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7018 |
| logD: | 3.7018 |
| logSw: | -3.932 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.104 |
| InChI Key: | UELJLUIXOBQOJE-UHFFFAOYSA-M |