7-[(4-bromo-1-ethyl-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-[(4-bromo-1-ethyl-1H-pyrazole-5-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-[(4-bromo-1-ethyl-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: | Y501-8987 |
| Compound Name: | 7-[(4-bromo-1-ethyl-1H-pyrazole-5-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 415.26 |
| Molecular Formula: | C14 H15 Br N4 O4 S |
| Smiles: | CCn1c(C(NC2C3N(C(=C(C)CS3)C(O)=O)C2=O)=O)c(cn1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9024 |
| logD: | -3.9944 |
| logSw: | -1.7443 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.672 |
| InChI Key: | QHYWBFAZHAEHPX-UHFFFAOYSA-N |