sodium--7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-ca rboxylate (1/1)
Chemical Structure Depiction of
sodium--7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-ca rboxylate (1/1)
sodium--7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-ca rboxylate (1/1)
Compound characteristics
| Compound ID: | 5181-0594 |
| Compound Name: | sodium--7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-ca rboxylate (1/1) |
| Molecular Weight: | 576.56 |
| Molecular Formula: | C18 H17 N8 O7 S3 |
| Salt: | Na+ |
| Smiles: | CN1C(=NC(C(=N1)O)=O)SCC1CSC2C(C(N2C=1C([O-])=O)=O)NC(C(\c1csc(N)n1)=N/OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.7989 |
| logD: | -0.8688 |
| logSw: | -1.404 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 172.179 |
| InChI Key: | VAAUVRVFOQPIGI-GYRAYZOKSA-M |