1-(azepan-1-yl)-2-{3-[(3-methylphenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{3-[(3-methylphenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one
1-(azepan-1-yl)-2-{3-[(3-methylphenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | E588-0465 |
| Compound Name: | 1-(azepan-1-yl)-2-{3-[(3-methylphenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C24 H28 N2 O3 S |
| Smiles: | Cc1cccc(CS(c2cn(CC(N3CCCCCC3)=O)c3ccccc23)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2553 |
| logD: | 4.2553 |
| logSw: | -4.1605 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.459 |
| InChI Key: | WEPVFQYZKUTWQU-UHFFFAOYSA-N |