7-{2-[5-cyclopropyl-3-(trifluoromethyl)-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-[5-cyclopropyl-3-(trifluoromethyl)-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-[5-cyclopropyl-3-(trifluoromethyl)-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: | D052-0009 |
| Compound Name: | 7-{2-[5-cyclopropyl-3-(trifluoromethyl)-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: | 560.59 |
| Molecular Formula: | C20 H19 F3 N6 O4 S3 |
| Smiles: | Cc1nnc(SCC2CSC3C(C(N3C=2C(O)=O)=O)NC(Cn2c(cc(C(F)(F)F)n2)C2CC2)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5098 |
| logD: | -3.752 |
| logSw: | -2.0897 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.386 |
| InChI Key: | JGCTWQFRMKBSGJ-UHFFFAOYSA-N |