2-({[1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}methyl)benzonitrile
2-({[1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V003-6023 |
| Compound Name: | 2-({[1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 512.69 |
| Molecular Formula: | C26 H32 N4 O3 S2 |
| Salt: | not_available |
| Smiles: | CCOCCCn1c2ccc(cc2nc1SCc1ccccc1C#N)S(N1CCCC(C)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0829 |
| logD: | 5.0815 |
| logSw: | -4.8622 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.405 |
| InChI Key: | QZMGGMXAWDGHPW-FQEVSTJZSA-N |