2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-N,N-diethylacetamide
Chemical Structure Depiction of
2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-N,N-diethylacetamide
2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-N,N-diethylacetamide
Compound characteristics
Compound ID: | D347-0678 |
Compound Name: | 2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-N,N-diethylacetamide |
Molecular Weight: | 431.98 |
Molecular Formula: | C22 H26 Cl N3 O2 S |
Smiles: | CCN(CC)C(Cn1c2ccccc2nc1SCCOc1ccc(c(C)c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.3696 |
logD: | 5.3633 |
logSw: | -5.9015 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 33.571 |
InChI Key: | LRRFUGQDWVKFEX-UHFFFAOYSA-N |