7-[(4-bromo-1-ethyl-1H-pyrazole-5-carbonyl)amino]-3-methyl-N-(2-methylpropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide
Chemical Structure Depiction of
7-[(4-bromo-1-ethyl-1H-pyrazole-5-carbonyl)amino]-3-methyl-N-(2-methylpropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide
7-[(4-bromo-1-ethyl-1H-pyrazole-5-carbonyl)amino]-3-methyl-N-(2-methylpropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide
Compound characteristics
| Compound ID: | Y501-9732 |
| Compound Name: | 7-[(4-bromo-1-ethyl-1H-pyrazole-5-carbonyl)amino]-3-methyl-N-(2-methylpropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide |
| Molecular Weight: | 470.39 |
| Molecular Formula: | C18 H24 Br N5 O3 S |
| Smiles: | CCn1c(C(NC2C3N(C(=C(C)CS3)C(NCC(C)C)=O)C2=O)=O)c(cn1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.033 |
| logD: | 2.0254 |
| logSw: | -2.2226 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.949 |
| InChI Key: | LUXCYVQDBQAZHO-UHFFFAOYSA-N |