1-(4-methoxybenzene-1-sulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
Chemical Structure Depiction of
1-(4-methoxybenzene-1-sulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
1-(4-methoxybenzene-1-sulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole
Compound characteristics
| Compound ID: | K653-0184 |
| Compound Name: | 1-(4-methoxybenzene-1-sulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-benzimidazole |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C21 H17 N3 O5 S2 |
| Smiles: | COc1ccc(cc1)S(n1c2ccccc2nc1SCc1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0303 |
| logD: | 5.0303 |
| logSw: | -4.8484 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.789 |
| InChI Key: | YWIPOMBYJLHFBS-UHFFFAOYSA-N |