3-{[2-(benzenesulfonyl)ethyl]sulfanyl}-5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[2-(benzenesulfonyl)ethyl]sulfanyl}-5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazole
3-{[2-(benzenesulfonyl)ethyl]sulfanyl}-5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8009-6531 |
| Compound Name: | 3-{[2-(benzenesulfonyl)ethyl]sulfanyl}-5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 500.43 |
| Molecular Formula: | C22 H18 Br N3 O2 S2 |
| Smiles: | C(CS(c1ccccc1)(=O)=O)Sc1nnc(c2cccc(c2)[Br])n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9895 |
| logD: | 4.9895 |
| logSw: | -4.9672 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.749 |
| InChI Key: | PCKHERHIUXVQIW-UHFFFAOYSA-N |