7-(2-chloro-4,5-difluorobenzamido)-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-chloro-4,5-difluorobenzamido)-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-chloro-4,5-difluorobenzamido)-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: | D052-0059 |
| Compound Name: | 7-(2-chloro-4,5-difluorobenzamido)-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: | 518.97 |
| Molecular Formula: | C18 H13 Cl F2 N4 O4 S3 |
| Smiles: | Cc1nnc(SCC2CSC3C(C(N3C=2C(O)=O)=O)NC(c2cc(c(cc2[Cl])F)F)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5851 |
| logD: | -2.6766 |
| logSw: | -3.2963 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.118 |
| InChI Key: | UAHYTULENJCXQX-UHFFFAOYSA-N |