2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1-(prop-2-yn-1-yl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1-(prop-2-yn-1-yl)-1H-benzimidazole
2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1-(prop-2-yn-1-yl)-1H-benzimidazole
Compound characteristics
| Compound ID: | D347-0753 |
| Compound Name: | 2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1-(prop-2-yn-1-yl)-1H-benzimidazole |
| Molecular Weight: | 336.45 |
| Molecular Formula: | C20 H20 N2 O S |
| Smiles: | Cc1ccc(cc1C)OCCSc1nc2ccccc2n1CC#C |
| Stereo: | ACHIRAL |
| logP: | 5.6192 |
| logD: | 5.6184 |
| logSw: | -5.4759 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 18.145 |
| InChI Key: | MGQDJQISMYCBMJ-UHFFFAOYSA-N |