2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1-(prop-2-yn-1-yl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1-(prop-2-yn-1-yl)-1H-benzimidazole
2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1-(prop-2-yn-1-yl)-1H-benzimidazole
Compound characteristics
| Compound ID: | D347-0652 |
| Compound Name: | 2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1-(prop-2-yn-1-yl)-1H-benzimidazole |
| Molecular Weight: | 356.87 |
| Molecular Formula: | C19 H17 Cl N2 O S |
| Smiles: | Cc1cc(ccc1[Cl])OCCSc1nc2ccccc2n1CC#C |
| Stereo: | ACHIRAL |
| logP: | 5.8622 |
| logD: | 5.8614 |
| logSw: | -6.0698 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 18.145 |
| InChI Key: | VMTLHDBJMVKRRZ-UHFFFAOYSA-N |