2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Chemical Structure Depiction of
2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | 8007-5571 |
| Compound Name: | 2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole |
| Molecular Weight: | 443.53 |
| Molecular Formula: | C24 H21 N5 O2 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.7179 |
| logD: | 4.7148 |
| logSw: | -4.5993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.255 |
| InChI Key: | NNLBBWNDZJBJHF-UHFFFAOYSA-N |