2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
Compound ID: | E848-1063 |
Compound Name: | 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
Molecular Weight: | 471.64 |
Molecular Formula: | C24 H29 N3 O3 S2 |
Smiles: | CSc1ccc(CNC(Cn2ccc3cc(ccc23)S(N2CCCCCC2)(=O)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.4268 |
logD: | 4.4268 |
logSw: | -4.2005 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.591 |
InChI Key: | DIMLDLHJMOPOMI-UHFFFAOYSA-N |