methyl 4-[2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | E587-0146 |
| Compound Name: | methyl 4-[2-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C24 H25 N3 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1cn(CC(N2CCCC2)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4058 |
| logD: | 3.4056 |
| logSw: | -3.5172 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.781 |
| InChI Key: | PJYOKLBDRTVFIM-UHFFFAOYSA-N |