2-({[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Chemical Structure Depiction of
2-({[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
2-({[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | 8012-4508 |
| Compound Name: | 2-({[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C23 H19 N5 O S |
| Smiles: | COc1cccc(c1)c1nnc(n1c1ccccc1)SCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 5.1558 |
| logD: | 5.1527 |
| logSw: | -5.1595 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.538 |
| InChI Key: | MZZNLKQSKCHASO-UHFFFAOYSA-N |