3-({[1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}methyl)benzonitrile
3-({[1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V021-0855 |
| Compound Name: | 3-({[1-(propan-2-yl)-5-(pyrrolidine-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C22 H24 N4 O2 S2 |
| Salt: | not_available |
| Smiles: | CC(C)n1c2ccc(cc2nc1SCc1cccc(C#N)c1)S(N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2996 |
| logD: | 4.2985 |
| logSw: | -4.3196 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.958 |
| InChI Key: | HQLFNTUORYUOMN-UHFFFAOYSA-N |