sodium--3-[(acetyloxy)methyl]-7-[(5-{[4-chloro-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-{[4-chloro-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-{[4-chloro-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: | Y502-4976 |
| Compound Name: | sodium--3-[(acetyloxy)methyl]-7-[(5-{[4-chloro-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: | 585.01 |
| Molecular Formula: | C26 H26 Cl N2 O8 S |
| Salt: | Na+ |
| Smiles: | CC(C)c1cc(c(C)cc1OCc1ccc(C(NC2C3N(C(=C(COC(C)=O)CS3)C([O-])=O)C2=O)=O)o1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5245 |
| logD: | 4.5245 |
| logSw: | -4.3023 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.104 |
| InChI Key: | KJTYHADBPJJJNZ-UHFFFAOYSA-M |