1-(1H-indol-3-yl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(1H-indol-3-yl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(1H-indol-3-yl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 7525-0939 |
| Compound Name: | 1-(1H-indol-3-yl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C22 H16 N4 O S2 |
| Smiles: | C(C(c1c[nH]c2ccccc12)=O)Sc1nnc(c2cccs2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0109 |
| logD: | 5.0109 |
| logSw: | -5.0853 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.849 |
| InChI Key: | AXVDKQHIVRKMKN-UHFFFAOYSA-N |