methyl 4-{[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1H-benzimidazol-1-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1H-benzimidazol-1-yl]methyl}benzoate
methyl 4-{[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1H-benzimidazol-1-yl]methyl}benzoate
Compound characteristics
| Compound ID: | G534-0895 |
| Compound Name: | methyl 4-{[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1H-benzimidazol-1-yl]methyl}benzoate |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C25 H23 N3 O3 S |
| Smiles: | CN(C(CSc1nc2ccccc2n1Cc1ccc(cc1)C(=O)OC)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7279 |
| logD: | 4.7274 |
| logSw: | -4.6278 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.764 |
| InChI Key: | OPYYZIATJIGHLR-UHFFFAOYSA-N |