1-(azepan-1-yl)-2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one
1-(azepan-1-yl)-2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | K413-0053 |
| Compound Name: | 1-(azepan-1-yl)-2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C23 H25 F N2 O S |
| Smiles: | C1CCCN(CC1)C(CSc1cn(Cc2cccc(c2)F)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8468 |
| logD: | 4.8468 |
| logSw: | -4.8803 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 18.4225 |
| InChI Key: | ZDHYBOKKQHQJMR-UHFFFAOYSA-N |