7-[(1,3-diphenyl-1H-pyrazole-4-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-[(1,3-diphenyl-1H-pyrazole-4-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-[(1,3-diphenyl-1H-pyrazole-4-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: | Y501-9032 |
| Compound Name: | 7-[(1,3-diphenyl-1H-pyrazole-4-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: | 590.7 |
| Molecular Formula: | C27 H22 N6 O4 S3 |
| Smiles: | Cc1nnc(SCC2CSC3C(C(N3C=2C(O)=O)=O)NC(c2cn(c3ccccc3)nc2c2ccccc2)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1963 |
| logD: | -2.0654 |
| logSw: | -3.4283 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.75 |
| InChI Key: | BFAXACPWWLOFIV-UHFFFAOYSA-N |