3-[(acetyloxy)methyl]-7-{2-[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(acetyloxy)methyl]-7-{2-[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-{2-[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0029 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-{2-[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 478.86 |
| Molecular Formula: | C17 H17 Cl F2 N4 O6 S |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(Cn1c(C)c(c(C(F)F)n1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2528 |
| logD: | -5.3739 |
| logSw: | -2.5569 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.482 |
| InChI Key: | NNNKHRNWGWLUHD-UHFFFAOYSA-N |