propan-2-yl {2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}acetate
Chemical Structure Depiction of
propan-2-yl {2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}acetate
propan-2-yl {2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}acetate
Compound characteristics
| Compound ID: | D347-0045 |
| Compound Name: | propan-2-yl {2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}acetate |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C20 H22 N2 O3 S |
| Smiles: | CC(C)OC(Cn1c2ccccc2nc1SCCOc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4602 |
| logD: | 4.4562 |
| logSw: | -4.2593 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.004 |
| InChI Key: | XPNYVEITSFGZMM-UHFFFAOYSA-N |