2-{[(4-ethenylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[(4-ethenylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
2-{[(4-ethenylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | V015-7088 |
| Compound Name: | 2-{[(4-ethenylphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole |
| Molecular Weight: | 483.65 |
| Molecular Formula: | C25 H29 N3 O3 S2 |
| Salt: | not_available |
| Smiles: | C=Cc1ccc(CSc2nc3cc(ccc3n2CC2CCCO2)S(N2CCCC2)(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5961 |
| logD: | 4.5958 |
| logSw: | -4.4443 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.209 |
| InChI Key: | PXAIBCXAIHEDLN-OAQYLSRUSA-N |