3-methyl-7-[3-(5-methyl-4-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-methyl-7-[3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-methyl-7-[3-(5-methyl-4-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: | D052-0115 |
| Compound Name: | 3-methyl-7-[3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 395.39 |
| Molecular Formula: | C15 H17 N5 O6 S |
| Smiles: | CC1CSC2C(C(N2C=1C(O)=O)=O)NC(CCn1c(C)c(cn1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.1281 |
| logD: | -5.0249 |
| logSw: | -1.819 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.764 |
| InChI Key: | RUAXJPXALSLHRI-UHFFFAOYSA-N |