methyl 4-(2-{[1-(2-phenylethyl)-1H-benzimidazol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[1-(2-phenylethyl)-1H-benzimidazol-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[1-(2-phenylethyl)-1H-benzimidazol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8018-3533 |
| Compound Name: | methyl 4-(2-{[1-(2-phenylethyl)-1H-benzimidazol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C25 H23 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc2ccccc2n1CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4357 |
| logD: | 5.4356 |
| logSw: | -5.4325 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.779 |
| InChI Key: | VXOXGPFEEOEBQR-UHFFFAOYSA-N |