2-(2-{[2-(2,3-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(2-{[2-(2,3-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one
2-(2-{[2-(2,3-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D510-2045 |
| Compound Name: | 2-(2-{[2-(2,3-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 437.6 |
| Molecular Formula: | C25 H31 N3 O2 S |
| Smiles: | CC1CCN(CC1)C(Cn1c2ccccc2nc1SCCOc1cccc(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3541 |
| logD: | 5.3478 |
| logSw: | -5.2968 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.374 |
| InChI Key: | PVFFLZYUVMERPF-UHFFFAOYSA-N |