7-[(1-ethyl-5-methyl-1H-pyrazole-4-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-5-methyl-1H-pyrazole-4-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-[(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y501-8653 |
| Compound Name: | 7-[(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 350.39 |
| Molecular Formula: | C15 H18 N4 O4 S |
| Smiles: | CCn1c(C)c(cn1)C(NC1C2N(C(=C(C)CS2)C(O)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7392 |
| logD: | -4.1576 |
| logSw: | -1.9376 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.643 |
| InChI Key: | FIUJGVUMNGDCKC-UHFFFAOYSA-N |