7-{2-[4-chloro-3-(difluoromethyl)-5-methyl-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-chloro-3-(difluoromethyl)-5-methyl-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-chloro-3-(difluoromethyl)-5-methyl-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: | D052-0030 |
| Compound Name: | 7-{2-[4-chloro-3-(difluoromethyl)-5-methyl-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: | 551.01 |
| Molecular Formula: | C18 H17 Cl F2 N6 O4 S3 |
| Smiles: | Cc1c(c(C(F)F)nn1CC(NC1C2N(C(=C(CS2)CSc2nnc(C)s2)C(O)=O)C1=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8575 |
| logD: | -4.4042 |
| logSw: | -2.5473 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.651 |
| InChI Key: | UKYSLASHEMIDQU-UHFFFAOYSA-N |