3-[(acetyloxy)methyl]-7-({5-[(3-methyl-4-nitrophenoxy)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-[(3-methyl-4-nitrophenoxy)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-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0093 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-({5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 531.5 |
| Molecular Formula: | C23 H21 N3 O10 S |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(c1ccc(COc2ccc(c(C)c2)[N+]([O-])=O)o1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.389 |
| logD: | -3.2376 |
| logSw: | -2.5054 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 139.098 |
| InChI Key: | XRQXKQHEFWGWOX-UHFFFAOYSA-N |