butyl 4-{2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
butyl 4-{2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamido}benzoate
butyl 4-{2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 3448-0634 |
| Compound Name: | butyl 4-{2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CCCCOC(c1ccc(cc1)NC(CSc1nc2ccccc2n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9779 |
| logD: | 4.9769 |
| logSw: | -4.6167 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.756 |
| InChI Key: | PMSXDXBDTFOHHH-UHFFFAOYSA-N |