N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}thiophene-2-carboxamide
N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D332-0174 |
| Compound Name: | N-{2-[(azepan-1-yl)methyl]-1-butyl-1H-benzimidazol-5-yl}thiophene-2-carboxamide |
| Molecular Weight: | 410.58 |
| Molecular Formula: | C23 H30 N4 O S |
| Smiles: | CCCCn1c2ccc(cc2nc1CN1CCCCCC1)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2278 |
| logD: | 4.6598 |
| logSw: | -4.9026 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.566 |
| InChI Key: | BOMSCYSHGSIEAW-UHFFFAOYSA-N |