2-{[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one
2-{[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one
Compound characteristics
Compound ID: | 4137-1662 |
Compound Name: | 2-{[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one |
Molecular Weight: | 403.3 |
Molecular Formula: | C17 H15 Br N4 O S |
Smiles: | Cn1c(c2cccc(c2)N)nnc1SCC(c1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 3.2276 |
logD: | 3.2276 |
logSw: | -3.4562 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 59.104 |
InChI Key: | FXRAUJOWIIUHFS-UHFFFAOYSA-N |