2-{[4-(4-bromophenyl)-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[4-(4-bromophenyl)-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[4-(4-bromophenyl)-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0172 |
| Compound Name: | 2-{[4-(4-bromophenyl)-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 456.36 |
| Molecular Formula: | C20 H18 Br N5 O S |
| Smiles: | Cc1c2cc(ccc2[nH]c1C)c1nnc(n1c1ccc(cc1)[Br])SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2372 |
| logD: | 4.2372 |
| logSw: | -4.4394 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.298 |
| InChI Key: | HOKXXHVTCVYARE-UHFFFAOYSA-N |