7-{[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-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-{[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-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-{[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-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: | D052-0107 |
| Compound Name: | 7-{[4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]amino}-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: | 599.43 |
| Molecular Formula: | C17 H14 Br F3 N6 O4 S3 |
| Smiles: | Cc1nnc(SCC2CSC3C(C(N3C=2C(O)=O)=O)NC(c2c(c(C(F)(F)F)nn2C)[Br])=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2607 |
| logD: | -4.0011 |
| logSw: | -1.8491 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.18 |
| InChI Key: | MYAWRWVUDMJDSE-UHFFFAOYSA-N |