methyl 2-(2-{3-[(4-methylphenyl)methanesulfonyl]-1H-indol-1-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{3-[(4-methylphenyl)methanesulfonyl]-1H-indol-1-yl}acetamido)benzoate
methyl 2-(2-{3-[(4-methylphenyl)methanesulfonyl]-1H-indol-1-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | E690-0129 |
| Compound Name: | methyl 2-(2-{3-[(4-methylphenyl)methanesulfonyl]-1H-indol-1-yl}acetamido)benzoate |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C26 H24 N2 O5 S |
| Smiles: | Cc1ccc(CS(c2cn(CC(Nc3ccccc3C(=O)OC)=O)c3ccccc23)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0458 |
| logD: | 4.002 |
| logSw: | -3.9911 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.361 |
| InChI Key: | KOJVOBOODLPWAY-UHFFFAOYSA-N |