methyl 4-[(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazol-1-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazol-1-yl)methyl]benzoate
methyl 4-[(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazol-1-yl)methyl]benzoate
Compound characteristics
Compound ID: | G534-0649 |
Compound Name: | methyl 4-[(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1H-benzimidazol-1-yl)methyl]benzoate |
Molecular Weight: | 445.54 |
Molecular Formula: | C25 H23 N3 O3 S |
Smiles: | COC(c1ccc(Cn2c3ccccc3nc2SCC(NCc2ccccc2)=O)cc1)=O |
Stereo: | ACHIRAL |
logP: | 4.9676 |
logD: | 4.9654 |
logSw: | -4.7162 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.123 |
InChI Key: | WJHXPQKEBQOSHE-UHFFFAOYSA-N |