1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
Compound ID: | D419-0152 |
Compound Name: | 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
Molecular Weight: | 437.56 |
Molecular Formula: | C23 H27 N5 O2 S |
Smiles: | Cc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(N1CCN(CC1)CCO)=O |
Stereo: | ACHIRAL |
logP: | 2.712 |
logD: | 2.6963 |
logSw: | -2.7937 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.551 |
InChI Key: | NJODDISLVJZTEL-UHFFFAOYSA-N |