3-[(acetyloxy)methyl]-7-[(1-ethyl-4-nitro-1H-pyrazole-3-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-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D177-1122 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-[(1-ethyl-4-nitro-1H-pyrazole-3-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: | CCn1cc(c(C(NC2C3N(C(=C(COC(C)=O)CS3)C(O)=O)C2=O)=O)n1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.5444 |
| logD: | -6.171 |
| logSw: | -1.8224 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 139.078 |
| InChI Key: | CBCWDEYFYVTWCG-UHFFFAOYSA-N |