2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | V003-0652 |
| Compound Name: | 2-{[(2,5-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(C)c(CSc2nc3cc(ccc3n2CC2CCCO2)S(N2CCCC2)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5068 |
| logD: | 5.5051 |
| logSw: | -5.2953 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.209 |
| InChI Key: | IVYCFTUGZVPJHC-OAQYLSRUSA-N |