ethyl {[1-(4-methylbenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[1-(4-methylbenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetate
ethyl {[1-(4-methylbenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8012-8654 |
| Compound Name: | ethyl {[1-(4-methylbenzene-1-sulfonyl)-1H-benzimidazol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C18 H18 N2 O4 S2 |
| Smiles: | CCOC(CSc1nc2ccccc2n1S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2182 |
| logD: | 4.2182 |
| logSw: | -4.1386 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.294 |
| InChI Key: | QPOKWSUSOIQWCD-UHFFFAOYSA-N |