N-[(3-methylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
Chemical Structure Depiction of
N-[(3-methylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
N-[(3-methylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
Compound characteristics
| Compound ID: | G730-0812 |
| Compound Name: | N-[(3-methylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C21 H23 N3 O |
| Smiles: | Cc1cccc(CNC(c2ccc3c(c2)nc2CCCCCn23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1399 |
| logD: | 4.1376 |
| logSw: | -4.1683 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.184 |
| InChI Key: | GYQUCQMABCWZHX-UHFFFAOYSA-N |