1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y020-5582 |
| Compound Name: | 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | Cc1c2ccccc2n(C(CSc2nnc(c3ccccc3)[nH]2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.4103 |
| logD: | 2.2007 |
| logSw: | -3.6482 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.358 |
| InChI Key: | BEILVKIFTMZHDO-UHFFFAOYSA-N |