2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazole
2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazole
Compound characteristics
Compound ID: | V003-2673 |
Compound Name: | 2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazole |
Molecular Weight: | 547.74 |
Molecular Formula: | C27 H37 N3 O5 S2 |
Salt: | not_available |
Smiles: | CCOCCCn1c2ccc(cc2nc1SCc1cccc(c1OC)OC)S(N1CCCC(C)C1)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.3336 |
logD: | 5.3326 |
logSw: | -5.3104 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 65.697 |
InChI Key: | KPCBCRMWNPAUQD-FQEVSTJZSA-N |