2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)propan-1-one
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | G865-0018 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 494.41 |
| Molecular Formula: | C24 H20 Br N3 O2 S |
| Smiles: | CC(C(c1ccc(cc1)OC)=O)Sc1nnc(c2ccc(cc2)[Br])n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.254 |
| logD: | 6.254 |
| logSw: | -5.6693 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.995 |
| InChI Key: | VTQKIYBENIRTKX-INIZCTEOSA-N |