7-[(1-ethyl-4-nitro-1H-pyrazole-5-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
7-[(1-ethyl-4-nitro-1H-pyrazole-5-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-[(1-ethyl-4-nitro-1H-pyrazole-5-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y501-8985 |
| Compound Name: | 7-[(1-ethyl-4-nitro-1H-pyrazole-5-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 381.36 |
| Molecular Formula: | C14 H15 N5 O6 S |
| Smiles: | CCn1c(C(NC2C3N(C(=C(C)CS3)C(O)=O)C2=O)=O)c(cn1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.1587 |
| logD: | -4.7381 |
| logSw: | -1.9244 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.753 |
| InChI Key: | JAOXGJYNHLAUKH-UHFFFAOYSA-N |