3-methyl-7-[(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-8-oxo-N-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide
Chemical Structure Depiction of
3-methyl-7-[(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-8-oxo-N-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide
3-methyl-7-[(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-8-oxo-N-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide
Compound characteristics
| Compound ID: | Y502-0510 |
| Compound Name: | 3-methyl-7-[(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-8-oxo-N-propyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C16 H20 N6 O5 S |
| Smiles: | CCCNC(C1=C(C)CSC2C(C(N12)=O)NC(c1c(cn(C)n1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4013 |
| logD: | 0.3914 |
| logSw: | -1.8273 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.272 |
| InChI Key: | JQKIFYMNBIMXSZ-UHFFFAOYSA-N |