7-[2-(4-bromo-3-methyl-1H-pyrazol-1-yl)acetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
7-[2-(4-bromo-3-methyl-1H-pyrazol-1-yl)acetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-[2-(4-bromo-3-methyl-1H-pyrazol-1-yl)acetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0046 |
| Compound Name: | 7-[2-(4-bromo-3-methyl-1H-pyrazol-1-yl)acetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 529.39 |
| Molecular Formula: | C16 H17 Br N8 O4 S2 |
| Smiles: | Cc1c(cn(CC(NC2C3N(C(=C(CS3)CSc3nnnn3C)C(O)=O)C2=O)=O)n1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.4011 |
| logD: | -5.6628 |
| logSw: | -1.4339 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.706 |
| InChI Key: | ACNRMUJBGJXYSR-UHFFFAOYSA-N |