2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C226-4111 |
| Compound Name: | 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C12 H18 N4 O3 S |
| Smiles: | CC1CCN(CC1)C(CSc1c(c(C)n[nH]1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7985 |
| logD: | 1.7879 |
| logSw: | -2.387 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.609 |
| InChI Key: | OUCUQQUSZXTVHB-UHFFFAOYSA-N |