N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-1H-benzimidazole-6-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-1H-benzimidazole-6-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-1H-benzimidazole-6-carboxamide
Compound characteristics
| Compound ID: | E226-0094 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-1H-benzimidazole-6-carboxamide |
| Molecular Weight: | 479.57 |
| Molecular Formula: | C26 H26 F N3 O3 S |
| Smiles: | Cn1c2cc(ccc2nc1SCc1ccc(cc1)F)C(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9386 |
| logD: | 3.9385 |
| logSw: | -4.1006 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.075 |
| InChI Key: | MGPLPDASHOOZSN-UHFFFAOYSA-N |