2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | E587-0403 |
| Compound Name: | 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide |
| Molecular Weight: | 449.61 |
| Molecular Formula: | C26 H31 N3 O2 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1cn(CC(N2CCCCCC2)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5125 |
| logD: | 4.5125 |
| logSw: | -4.059 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.874 |
| InChI Key: | XRJKFLQSMAVPQK-UHFFFAOYSA-N |