2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | V003-0605 |
| Compound Name: | 2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole |
| Molecular Weight: | 485.67 |
| Molecular Formula: | C25 H31 N3 O3 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nc3cc(ccc3n2CC2CCCO2)S(N2CCCC2)(=O)=O)cc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2571 |
| logD: | 5.2568 |
| logSw: | -5.0815 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.209 |
| InChI Key: | SJGSIXKFDGEWBP-OAQYLSRUSA-N |