3-methyl-7-[(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-methyl-7-[(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-methyl-7-[(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0125 |
| Compound Name: | 3-methyl-7-[(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 367.34 |
| Molecular Formula: | C13 H13 N5 O6 S |
| Smiles: | CC1CSC2C(C(N2C=1C(O)=O)=O)NC(c1c(cn(C)n1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.3698 |
| logD: | -5.2666 |
| logSw: | -1.8002 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.154 |
| InChI Key: | ZMFSXXOYPIRZKZ-UHFFFAOYSA-N |