1-(azepan-1-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(azepan-1-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
Compound ID: | D419-0024 |
Compound Name: | 1-(azepan-1-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
Molecular Weight: | 392.52 |
Molecular Formula: | C22 H24 N4 O S |
Smiles: | C1CCCN(CC1)C(CSc1nnc(c2ccccc2)n1c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 4.3197 |
logD: | 4.3197 |
logSw: | -4.1801 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 41.436 |
InChI Key: | AJIQGJHNNREHCA-UHFFFAOYSA-N |