N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 5867-3989 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | Cc1cc2ccccc2n2c(nnc12)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.551 |
| logD: | 3.5508 |
| logSw: | -3.6873 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.215 |
| InChI Key: | FGGCUNDRHYDNBY-UHFFFAOYSA-N |