1-(azepan-1-yl)-2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)ethan-1-one
1-(azepan-1-yl)-2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | E587-0585 |
| Compound Name: | 1-(azepan-1-yl)-2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C24 H33 N3 O3 S |
| Smiles: | CC1CN(CC(C)O1)C(Cn1cc(c2ccccc12)SCC(N1CCCCCC1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6728 |
| logD: | 2.6728 |
| logSw: | -2.6777 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.747 |
| InChI Key: | CASIVRXRYQFOHG-UHFFFAOYSA-N |