methyl 2-{2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | C226-4163 |
| Compound Name: | methyl 2-{2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 350.35 |
| Molecular Formula: | C14 H14 N4 O5 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1ccccc1C(=O)OC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9298 |
| logD: | 1.9133 |
| logSw: | -2.7793 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.842 |
| InChI Key: | HTEFETLNCICLBF-UHFFFAOYSA-N |