methyl 2-{2-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]acetamido}benzoate
methyl 2-{2-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | 4360-0102 |
| Compound Name: | methyl 2-{2-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]acetamido}benzoate |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C24 H21 N3 O3 S |
| Smiles: | COC(c1ccccc1NC(Cn1c2ccccc2nc1SCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8318 |
| logD: | 4.7979 |
| logSw: | -4.6019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.103 |
| InChI Key: | JVSQUSWWZIFPJK-UHFFFAOYSA-N |