7-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanamido]-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-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanamido]-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-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanamido]-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: | D052-0108 |
| Compound Name: | 7-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanamido]-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: | 573.51 |
| Molecular Formula: | C19 H21 Br N6 O4 S3 |
| Smiles: | Cc1c(c(C)n(CCC(NC2C3N(C(=C(CS3)CSc3nnc(C)s3)C(O)=O)C2=O)=O)n1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7372 |
| logD: | -4.5245 |
| logSw: | -1.571 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.436 |
| InChI Key: | GRQGINJLBIEVPX-UHFFFAOYSA-N |