2-{3-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-{3-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one
2-{3-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8010-1185 |
| Compound Name: | 2-{3-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 428.94 |
| Molecular Formula: | C22 H21 Cl N2 O3 S |
| Smiles: | Cc1cc2c(cc1C)N(C1CC(C3OCC1O3)=O)C(N2Cc1ccccc1[Cl])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2133 |
| logD: | 4.2133 |
| logSw: | -4.3869 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 34.087 |
| InChI Key: | RFAHFSKNQAUVLL-UHFFFAOYSA-N |