2-{[(3-bromophenyl)methyl]sulfanyl}-1-(4-methylbenzene-1-sulfonyl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[(3-bromophenyl)methyl]sulfanyl}-1-(4-methylbenzene-1-sulfonyl)-1H-benzimidazole
2-{[(3-bromophenyl)methyl]sulfanyl}-1-(4-methylbenzene-1-sulfonyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | K653-0440 |
| Compound Name: | 2-{[(3-bromophenyl)methyl]sulfanyl}-1-(4-methylbenzene-1-sulfonyl)-1H-benzimidazole |
| Molecular Weight: | 473.41 |
| Molecular Formula: | C21 H17 Br N2 O2 S2 |
| Smiles: | Cc1ccc(cc1)S(n1c2ccccc2nc1SCc1cccc(c1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3201 |
| logD: | 6.3201 |
| logSw: | -5.652 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.864 |
| InChI Key: | UQRGAOKMIPIKOS-UHFFFAOYSA-N |