1-(2-methyl-1H-indol-3-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2-methyl-1H-indol-3-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(2-methyl-1H-indol-3-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8015-3603 |
| Compound Name: | 1-(2-methyl-1H-indol-3-yl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 272.33 |
| Molecular Formula: | C13 H12 N4 O S |
| Smiles: | Cc1c(C(CSc2nnc[nH]2)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.3975 |
| logD: | 1.0322 |
| logSw: | -2.2927 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.565 |
| InChI Key: | BPLSGQFUENKNBY-UHFFFAOYSA-N |