3-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
3-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Compound characteristics
Compound ID: | E848-1275 |
Compound Name: | 3-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide |
Molecular Weight: | 485.67 |
Molecular Formula: | C25 H31 N3 O3 S2 |
Smiles: | CSc1ccc(CNC(CCn2ccc3cc(ccc23)S(N2CCCCCC2)(=O)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.6808 |
logD: | 4.6808 |
logSw: | -4.3832 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.569 |
InChI Key: | LHWBVUKQMXXYLL-UHFFFAOYSA-N |