N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-({1-[2-(methylsulfanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-({1-[2-(methylsulfanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamide
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-({1-[2-(methylsulfanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8016-0635 |
| Compound Name: | N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-({1-[2-(methylsulfanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C18 H14 N6 O3 S2 |
| Smiles: | CSc1ccccc1n1c(nnn1)SCC(Nc1cc2c(cc1C#N)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6631 |
| logD: | 2.647 |
| logSw: | -3.4072 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.211 |
| InChI Key: | DXPJKPRGMBBLRF-UHFFFAOYSA-N |