2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | V006-9235 |
| Compound Name: | 2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazole |
| Molecular Weight: | 517.67 |
| Molecular Formula: | C25 H31 N3 O5 S2 |
| Salt: | not_available |
| Smiles: | COc1cccc(CSc2nc3cc(ccc3n2CC2CCCO2)S(N2CCCC2)(=O)=O)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3324 |
| logD: | 4.3322 |
| logSw: | -4.3871 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.556 |
| InChI Key: | VCQVXJXKXDMTQP-LJQANCHMSA-N |