7-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-3-{[(5-methyl-1,3,4-thiadiazol-2-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-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0013 |
| Compound Name: | 7-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 559.48 |
| Molecular Formula: | C18 H19 Br N6 O4 S3 |
| Smiles: | Cc1c(c(C)n(CC(NC2C3N(C(=C(CS3)CSc3nnc(C)s3)C(O)=O)C2=O)=O)n1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.5411 |
| logD: | -4.7207 |
| logSw: | -1.6067 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.457 |
| InChI Key: | FAJXDHVELXZOSA-UHFFFAOYSA-N |