2-{[1-(4-bromobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-butylacetamide
Chemical Structure Depiction of
2-{[1-(4-bromobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-butylacetamide
2-{[1-(4-bromobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-butylacetamide
Compound characteristics
| Compound ID: | K653-0320 |
| Compound Name: | 2-{[1-(4-bromobenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}-N-butylacetamide |
| Molecular Weight: | 482.42 |
| Molecular Formula: | C19 H20 Br N3 O3 S2 |
| Smiles: | CCCCNC(CSc1nc2ccccc2n1S(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7526 |
| logD: | 4.7526 |
| logSw: | -4.4769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.449 |
| InChI Key: | RKMXDJURSWXVLG-UHFFFAOYSA-N |