4-[(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]but-2-yn-1-yl 4-chlorobenzoate
Chemical Structure Depiction of
4-[(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]but-2-yn-1-yl 4-chlorobenzoate
4-[(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]but-2-yn-1-yl 4-chlorobenzoate
Compound characteristics
| Compound ID: | 6937-0291 |
| Compound Name: | 4-[(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]but-2-yn-1-yl 4-chlorobenzoate |
| Molecular Weight: | 446.95 |
| Molecular Formula: | C25 H19 Cl N2 O2 S |
| Smiles: | C(c1ccccc1)n1c2ccccc2nc1SCC#CCOC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.1016 |
| logD: | 7.1009 |
| logSw: | -6.509 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.5252 |
| InChI Key: | QJWUXPBUGSWROC-UHFFFAOYSA-N |