3-[(acetyloxy)methyl]-7-({5-[(4-chloro-2-methylphenoxy)methyl]furan-2-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-({5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-({5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
Compound ID: | D052-0080 |
Compound Name: | 3-[(acetyloxy)methyl]-7-({5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Molecular Weight: | 520.94 |
Molecular Formula: | C23 H21 Cl N2 O8 S |
Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(c1ccc(COc2ccc(cc2C)[Cl])o1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.423 |
logD: | -2.2037 |
logSw: | -3.6606 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 106.104 |
InChI Key: | CFYQMHLNBLPBJT-UHFFFAOYSA-N |