1-(azepan-1-yl)-2-(3-{[(2-methylphenyl)methyl]sulfanyl}-1H-indol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-(3-{[(2-methylphenyl)methyl]sulfanyl}-1H-indol-1-yl)ethan-1-one
1-(azepan-1-yl)-2-(3-{[(2-methylphenyl)methyl]sulfanyl}-1H-indol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | E587-0461 |
| Compound Name: | 1-(azepan-1-yl)-2-(3-{[(2-methylphenyl)methyl]sulfanyl}-1H-indol-1-yl)ethan-1-one |
| Molecular Weight: | 392.56 |
| Molecular Formula: | C24 H28 N2 O S |
| Smiles: | Cc1ccccc1CSc1cn(CC(N2CCCCCC2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.4321 |
| logD: | 5.4321 |
| logSw: | -5.2982 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 18.4225 |
| InChI Key: | AULLHZHDFYFRTR-UHFFFAOYSA-N |