2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(thiophen-2-yl)ethan-1-one
2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(thiophen-2-yl)ethan-1-one
Compound characteristics
Compound ID: | 8012-6201 |
Compound Name: | 2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(thiophen-2-yl)ethan-1-one |
Molecular Weight: | 435.57 |
Molecular Formula: | C23 H21 N3 O2 S2 |
Smiles: | Cc1ccc(cc1C)OCc1nnc(n1c1ccccc1)SCC(c1cccs1)=O |
Stereo: | ACHIRAL |
logP: | 5.2503 |
logD: | 5.2503 |
logSw: | -5.0579 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 47.453 |
InChI Key: | NJBJOPPKYFQSOH-UHFFFAOYSA-N |