1-(2-methyl-1H-indol-3-yl)-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2-methyl-1H-indol-3-yl)-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(2-methyl-1H-indol-3-yl)-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 7525-1019 |
| Compound Name: | 1-(2-methyl-1H-indol-3-yl)-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | Cc1c(C(CSc2nnc(C)n2c2ccccc2)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.1754 |
| logD: | 3.1754 |
| logSw: | -3.394 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.934 |
| InChI Key: | SJGHAFATYRRTER-UHFFFAOYSA-N |