sodium--3-[(acetyloxy)methyl]-7-[(1,5-dimethyl-4-nitro-1H-pyrazole-3-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-[(1,5-dimethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
sodium--3-[(acetyloxy)methyl]-7-[(1,5-dimethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
Compound characteristics
| Compound ID: | Y501-9531 |
| Compound Name: | sodium--3-[(acetyloxy)methyl]-7-[(1,5-dimethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1) |
| Molecular Weight: | 461.38 |
| Molecular Formula: | C16 H16 N5 O8 S |
| Salt: | Na+ |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C([O-])=O)=O)NC(c1c(c(C)n(C)n1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.6396 |
| logD: | -0.64 |
| logSw: | -1.7174 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 138.761 |
| InChI Key: | KMWRGWSHLZMDRA-UHFFFAOYSA-M |