N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8016-0633 |
| Compound Name: | N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 410.41 |
| Molecular Formula: | C18 H14 N6 O4 S |
| Smiles: | COc1ccccc1n1c(nnn1)SCC(Nc1cc2c(cc1C#N)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1044 |
| logD: | 2.0884 |
| logSw: | -3.1211 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.842 |
| InChI Key: | QQBMXBWYYGNXMP-UHFFFAOYSA-N |