1-(azepan-1-yl)-2-{3-[(2-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-{3-[(2-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one
1-(azepan-1-yl)-2-{3-[(2-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | E588-0466 |
| Compound Name: | 1-(azepan-1-yl)-2-{3-[(2-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}ethan-1-one |
| Molecular Weight: | 444.98 |
| Molecular Formula: | C23 H25 Cl N2 O3 S |
| Smiles: | C1CCCN(CC1)C(Cn1cc(c2ccccc12)S(Cc1ccccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2454 |
| logD: | 4.2454 |
| logSw: | -4.2764 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.459 |
| InChI Key: | QXCCJMOHLVNVCO-UHFFFAOYSA-N |