N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8017-6335 |
| Compound Name: | N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 382.4 |
| Molecular Formula: | C17 H14 N6 O3 S |
| Smiles: | Cc1cc(C)n2c(n1)nc(n2)SCC(Nc1cc2c(cc1C#N)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4379 |
| logD: | 1.4193 |
| logSw: | -2.4201 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.903 |
| InChI Key: | RNKCDUAVCMLFMC-UHFFFAOYSA-N |