3-[(acetyloxy)methyl]-7-[2-methyl-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(acetyloxy)methyl]-7-[2-methyl-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-[2-methyl-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y502-9660 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-[2-methyl-3-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 467.46 |
| Molecular Formula: | C18 H21 N5 O8 S |
| Smiles: | CC(Cn1c(C)cc(n1)[N+]([O-])=O)C(NC1C2N(C(=C(COC(C)=O)CS2)C(O)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.6494 |
| logD: | -6.276 |
| logSw: | -1.8529 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 137.994 |
| InChI Key: | HCPXLBBBQFNBSO-UHFFFAOYSA-N |