7-{[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
7-{[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-{[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0105 |
| Compound Name: | 7-{[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 424.78 |
| Molecular Formula: | C14 H12 Cl F3 N4 O4 S |
| Smiles: | CC1CSC2C(C(N2C=1C(O)=O)=O)NC(c1c(c(C(F)(F)F)nn1C)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2155 |
| logD: | -3.6813 |
| logSw: | -2.6186 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.78 |
| InChI Key: | KKBZABSAAUWNQE-UHFFFAOYSA-N |