1-(azepan-1-yl)-2-{3-[(2-methylphenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{3-[(2-methylphenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one
1-(azepan-1-yl)-2-{3-[(2-methylphenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | E588-0461 |
| Compound Name: | 1-(azepan-1-yl)-2-{3-[(2-methylphenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C24 H28 N2 O3 S |
| Smiles: | Cc1ccccc1CS(c1cn(CC(N2CCCCCC2)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3868 |
| logD: | 4.3868 |
| logSw: | -4.0458 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.459 |
| InChI Key: | FIWLRHDGKPEDAK-UHFFFAOYSA-N |