1-(4-bromophenyl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-bromophenyl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8015-0723 |
| Compound Name: | 1-(4-bromophenyl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 456.38 |
| Molecular Formula: | C20 H14 Br N3 O S2 |
| Smiles: | C(C(c1ccc(cc1)[Br])=O)Sc1nnc(c2cccs2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3475 |
| logD: | 5.3475 |
| logSw: | -5.744 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.978 |
| InChI Key: | YZPDWOOYCUNXRZ-UHFFFAOYSA-N |