butyl 2-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-benzimidazole-1-carboxylate
Chemical Structure Depiction of
butyl 2-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-benzimidazole-1-carboxylate
butyl 2-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-benzimidazole-1-carboxylate
Compound characteristics
Compound ID: | 8008-9607 |
Compound Name: | butyl 2-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-benzimidazole-1-carboxylate |
Molecular Weight: | 336.41 |
Molecular Formula: | C16 H20 N2 O4 S |
Smiles: | CCCCOC(n1c2ccccc2nc1SCC(=O)OCC)=O |
Stereo: | ACHIRAL |
logP: | 3.8694 |
logD: | 3.8694 |
logSw: | -3.7716 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 51.465 |
InChI Key: | YIMGHQSHBFPTGG-UHFFFAOYSA-N |