N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4145 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C16 H20 N4 O5 S |
| Smiles: | Cc1c(c([nH]n1)SCC(NCCc1ccc(c(c1)OC)OC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1784 |
| logD: | 1.1678 |
| logSw: | -2.454 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.79 |
| InChI Key: | HAQUTVLJMFCVLQ-UHFFFAOYSA-N |