7-(3-fluorobenzamido)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
7-(3-fluorobenzamido)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-(3-fluorobenzamido)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0065 |
| Compound Name: | 7-(3-fluorobenzamido)-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C17 H15 F N6 O4 S2 |
| Smiles: | Cn1c(nnn1)SCC1CSC2C(C(N2C=1C(O)=O)=O)NC(c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6091 |
| logD: | -4.6526 |
| logSw: | -2.1077 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.789 |
| InChI Key: | KKJSIRIPNAPYDN-UHFFFAOYSA-N |