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 |