3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D177-1129 |
| Compound Name: | 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-{[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 520.53 |
| Molecular Formula: | C17 H15 F3 N6 O4 S3 |
| Smiles: | Cc1nnc(SCC2CSC3C(C(N3C=2C(O)=O)=O)NC(c2cc(C(F)(F)F)n(C)n2)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8576 |
| logD: | -4.4041 |
| logSw: | -1.8816 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.634 |
| InChI Key: | UBCVIZOUWJWXJW-UHFFFAOYSA-N |