1-(4-bromophenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(4-bromophenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
Compound ID: | 8013-9068 |
Compound Name: | 1-(4-bromophenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
Molecular Weight: | 496.45 |
Molecular Formula: | C23 H18 Br N3 O S2 |
Smiles: | C(C(c1ccc(cc1)[Br])=O)Sc1nnc(CSc2ccccc2)n1c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 5.5212 |
logD: | 5.5212 |
logSw: | -5.8976 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 38.936 |
InChI Key: | MIKMJKQDFZPBGR-UHFFFAOYSA-N |