2-{[(4-ethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[(4-ethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazole
2-{[(4-ethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | V003-4014 |
| Compound Name: | 2-{[(4-ethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazole |
| Molecular Weight: | 531.74 |
| Molecular Formula: | C27 H37 N3 O4 S2 |
| Salt: | not_available |
| Smiles: | CCOCCCn1c2ccc(cc2nc1SCc1ccc(cc1)OCC)S(N1CCCC(C)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3718 |
| logD: | 5.3705 |
| logSw: | -5.3071 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.473 |
| InChI Key: | WQRTZRKPISFBBC-NRFANRHFSA-N |