4-[(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
Chemical Structure Depiction of
4-[(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
4-[(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
Compound characteristics
| Compound ID: | 6937-0289 |
| Compound Name: | 4-[(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate |
| Molecular Weight: | 491.41 |
| Molecular Formula: | C25 H19 Br N2 O2 S |
| Smiles: | C(c1ccccc1)n1c2ccccc2nc1SCC#CCOC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 7.3408 |
| logD: | 7.3401 |
| logSw: | -6.1727 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.5252 |
| InChI Key: | DAJNJYZFKJOENL-UHFFFAOYSA-N |