S-[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl] ethanethioate
Chemical Structure Depiction of
S-[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl] ethanethioate
S-[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl] ethanethioate
Compound characteristics
| Compound ID: | D050-0133 |
| Compound Name: | S-[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl] ethanethioate |
| Molecular Weight: | 372.46 |
| Molecular Formula: | C18 H16 N2 O3 S2 |
| Smiles: | CC(=O)Sc1c(nc(c2ccccc2)[nH]1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3972 |
| logD: | 3.7197 |
| logSw: | -4.2659 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.094 |
| InChI Key: | AGODQUDYVBFJJE-UHFFFAOYSA-N |