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 |