2-(3-benzyl-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-(3-benzyl-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
2-(3-benzyl-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8010-3944 |
| Compound Name: | 2-(3-benzyl-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C20 H18 N2 O3 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(Cc2ccccc2)c2ccccc12)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6301 |
| logD: | 2.6301 |
| logSw: | -2.9663 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 34.087 |
| InChI Key: | JZFFZJRPQXAAGQ-UHFFFAOYSA-N |