3-[(acetyloxy)methyl]-7-[(1,3-dimethyl-4-nitro-1H-pyrazole-5-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-[(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-[(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y501-9332 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-[(1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 439.4 |
| Molecular Formula: | C16 H17 N5 O8 S |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(c1c(c(C)nn1C)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.8376 |
| logD: | -6.4643 |
| logSw: | -1.653 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 137.597 |
| InChI Key: | UICAQVQBCBAGDS-UHFFFAOYSA-N |