N-{[4-(methylsulfanyl)phenyl]methyl}-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
Compound characteristics
| Compound ID: | G730-0955 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide |
| Molecular Weight: | 365.5 |
| Molecular Formula: | C21 H23 N3 O S |
| Smiles: | CSc1ccc(CNC(c2ccc3c(c2)nc2CCCCCn23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1707 |
| logD: | 4.1685 |
| logSw: | -4.1696 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.184 |
| InChI Key: | FQQQTESUKYRREA-UHFFFAOYSA-N |