methyl 3-methoxy-4-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-methoxy-4-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate
methyl 3-methoxy-4-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | V003-2696 |
| Compound Name: | methyl 3-methoxy-4-[({5-(3-methylpiperidine-1-sulfonyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 573.73 |
| Molecular Formula: | C28 H35 N3 O6 S2 |
| Salt: | not_available |
| Smiles: | CC1CCCN(C1)S(c1ccc2c(c1)nc(n2CC1CCCO1)SCc1ccc(cc1OC)C(=O)OC)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1931 |
| logD: | 5.1929 |
| logSw: | -5.0667 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 79.58 |
| InChI Key: | WMHQVBIYIOUZSA-UHFFFAOYSA-N |