N-[2-(3,4-diethoxyphenyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
Compound characteristics
| Compound ID: | G730-0891 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | CCOc1ccc(CCNC(c2ccc3c(c2)nc2CCCCCn23)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.3933 |
| logD: | 3.391 |
| logSw: | -3.5731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.446 |
| InChI Key: | YFROYMLNDPIEEJ-UHFFFAOYSA-N |