methyl 4-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | E587-0534 |
| Compound Name: | methyl 4-[2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C26 H29 N3 O4 S |
| Smiles: | CC1CCN(CC1)C(Cn1cc(c2ccccc12)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9551 |
| logD: | 3.955 |
| logSw: | -3.8718 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.415 |
| InChI Key: | ODXLQRBMCBPMNO-UHFFFAOYSA-N |