methyl 3-[({1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[({1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate
methyl 3-[({1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | V003-6009 |
| Compound Name: | methyl 3-[({1-[(oxolan-2-yl)methyl]-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 515.65 |
| Molecular Formula: | C25 H29 N3 O5 S2 |
| Salt: | not_available |
| Smiles: | COC(c1cccc(CSc2nc3cc(ccc3n2CC2CCCO2)S(N2CCCC2)(=O)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2641 |
| logD: | 4.2638 |
| logSw: | -4.3331 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.382 |
| InChI Key: | JMRUBLNFTUSOQQ-HXUWFJFHSA-N |