1-(2-ethylpiperidin-1-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2-ethylpiperidin-1-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one
1-(2-ethylpiperidin-1-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C226-4110 |
| Compound Name: | 1-(2-ethylpiperidin-1-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 312.39 |
| Molecular Formula: | C13 H20 N4 O3 S |
| Smiles: | CCC1CCCCN1C(CSc1c(c(C)n[nH]1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1994 |
| logD: | 2.1889 |
| logSw: | -2.2076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.255 |
| InChI Key: | LEVDTFAPJPTPPZ-JTQLQIEISA-N |