3-{[(4-bromophenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8015-1166 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 428.37 |
| Molecular Formula: | C19 H14 Br N3 S2 |
| Smiles: | C(c1ccc(cc1)[Br])Sc1nnc(c2cccs2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5448 |
| logD: | 5.5447 |
| logSw: | -6.0133 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.7309 |
| InChI Key: | JJDHBTUUEYUILI-UHFFFAOYSA-N |