3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-7-[(2-phenylcyclopropane-1-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-7-[(2-phenylcyclopropane-1-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-7-[(2-phenylcyclopropane-1-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0068 |
| Compound Name: | 3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-7-[(2-phenylcyclopropane-1-carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C20 H20 N6 O4 S2 |
| Smiles: | Cn1c(nnn1)SCC1CSC2C(C(N2C=1C(O)=O)=O)NC(C1CC1c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9348 |
| logD: | -4.327 |
| logSw: | -2.0521 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.041 |
| InChI Key: | QFJCOLLCUPTBTA-UHFFFAOYSA-N |