methyl 4-[2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | E587-0437 |
| Compound Name: | methyl 4-[2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C26 H29 N3 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1cn(CC(N2CCCCCC2)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1206 |
| logD: | 4.1205 |
| logSw: | -3.9573 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.746 |
| InChI Key: | WIVJHOZQAVTUTJ-UHFFFAOYSA-N |