methyl 3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}benzoate
methyl 3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | 8012-3681 |
| Compound Name: | methyl 3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C16 H14 N2 O2 S |
| Smiles: | COC(c1cccc(CSc2nc3ccccc3[nH]2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4405 |
| logD: | 3.4314 |
| logSw: | -3.8905 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.154 |
| InChI Key: | UGUWJFLJUFYFQW-UHFFFAOYSA-N |