1-(azepan-1-yl)-2-(3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1H-indol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-(3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1H-indol-1-yl)ethan-1-one
1-(azepan-1-yl)-2-(3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1H-indol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | E587-0389 |
| Compound Name: | 1-(azepan-1-yl)-2-(3-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1H-indol-1-yl)ethan-1-one |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C22 H29 N3 O2 S |
| Smiles: | C1CCCN(CC1)C(Cn1cc(c2ccccc12)SCC(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0738 |
| logD: | 3.0738 |
| logSw: | -2.9839 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.181 |
| InChI Key: | NQCOVLINACFQHQ-UHFFFAOYSA-N |