2-[3-(methylsulfanyl)anilino]-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-[3-(methylsulfanyl)anilino]-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
2-[3-(methylsulfanyl)anilino]-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D425-0473 |
| Compound Name: | 2-[3-(methylsulfanyl)anilino]-2-oxoethyl [(1-benzyl-1H-benzimidazol-2-yl)sulfanyl]acetate |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | CSc1cccc(c1)NC(COC(CSc1nc2ccccc2n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5881 |
| logD: | 5.5616 |
| logSw: | -5.3768 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.161 |
| InChI Key: | AZOLROFJRBWVDY-UHFFFAOYSA-N |