N-(2H-1,3-benzodioxol-5-yl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6686 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 359.36 |
| Molecular Formula: | C15 H13 N5 O4 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1038 |
| logD: | 1.0877 |
| logSw: | -2.3725 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.962 |
| InChI Key: | VROLYPJPQKTMOW-UHFFFAOYSA-N |