3-[(acetyloxy)methyl]-7-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(acetyloxy)methyl]-7-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0116 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 453.43 |
| Molecular Formula: | C17 H19 N5 O8 S |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(Cn1c(C)c(c(C)n1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.8089 |
| logD: | -6.4355 |
| logSw: | -1.6085 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 138.068 |
| InChI Key: | JSMGLSFRHRBDHH-UHFFFAOYSA-N |