methyl 2-{2-[3-(phenylmethanesulfonyl)-1H-indol-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(phenylmethanesulfonyl)-1H-indol-1-yl]acetamido}benzoate
methyl 2-{2-[3-(phenylmethanesulfonyl)-1H-indol-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | E690-0051 |
| Compound Name: | methyl 2-{2-[3-(phenylmethanesulfonyl)-1H-indol-1-yl]acetamido}benzoate |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C25 H22 N2 O5 S |
| Smiles: | COC(c1ccccc1NC(Cn1cc(c2ccccc12)S(Cc1ccccc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6224 |
| logD: | 3.5786 |
| logSw: | -3.7469 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.361 |
| InChI Key: | AZENQZCVUFJWOT-UHFFFAOYSA-N |