2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Chemical Structure Depiction of
2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one
Compound characteristics
Compound ID: | 8014-5743 |
Compound Name: | 2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethan-1-one |
Molecular Weight: | 434.95 |
Molecular Formula: | C23 H19 Cl N4 O S |
Smiles: | C(c1nnc(n1c1ccccc1)SCC(c1ccccc1)=O)Nc1ccc(cc1)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.7016 |
logD: | 4.7016 |
logSw: | -5.0032 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.442 |
InChI Key: | JEQOBCGXSRXSCE-UHFFFAOYSA-N |