2-{[4-(4-bromophenyl)-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-indol-3-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(4-bromophenyl)-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-indol-3-yl)ethan-1-one
2-{[4-(4-bromophenyl)-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-indol-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | K822-0286 |
| Compound Name: | 2-{[4-(4-bromophenyl)-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1H-indol-3-yl)ethan-1-one |
| Molecular Weight: | 556.48 |
| Molecular Formula: | C28 H22 Br N5 O S |
| Smiles: | Cc1c2cc(ccc2[nH]c1C)c1nnc(n1c1ccc(cc1)[Br])SCC(c1c[nH]c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0229 |
| logD: | 7.0229 |
| logSw: | -5.7722 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.756 |
| InChI Key: | CBPAFEDQNMZLEF-UHFFFAOYSA-N |