4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
Chemical Structure Depiction of
4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
Compound characteristics
Compound ID: | 6937-0232 |
Compound Name: | 4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate |
Molecular Weight: | 428.31 |
Molecular Formula: | C19 H14 Br N3 O2 S |
Smiles: | C(C#CCSc1ncnn1c1ccccc1)OC(c1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 5.2178 |
logD: | 5.2178 |
logSw: | -5.5326 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 46.46 |
InChI Key: | TYAHNEUZPZALKJ-UHFFFAOYSA-N |