propan-2-yl (2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetate
Chemical Structure Depiction of
propan-2-yl (2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetate
propan-2-yl (2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetate
Compound characteristics
| Compound ID: | D347-0990 |
| Compound Name: | propan-2-yl (2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetate |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | CC(C)OC(Cn1c2ccccc2nc1SCCOc1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3718 |
| logD: | 5.3678 |
| logSw: | -5.2535 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.004 |
| InChI Key: | RNLWXQWKXBBOKF-UHFFFAOYSA-N |