1-(4-benzylpiperazin-1-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-benzylpiperazin-1-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one
1-(4-benzylpiperazin-1-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C226-4133 |
| Compound Name: | 1-(4-benzylpiperazin-1-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C17 H21 N5 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(N1CCN(CC1)Cc1ccccc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7845 |
| logD: | 1.7641 |
| logSw: | -2.3657 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.149 |
| InChI Key: | QQAMESCYEAPEDD-UHFFFAOYSA-N |