2-(2-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1H-benzimidazol-1-yl)-N-cyclopentylacetamide
Chemical Structure Depiction of
2-(2-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1H-benzimidazol-1-yl)-N-cyclopentylacetamide
2-(2-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1H-benzimidazol-1-yl)-N-cyclopentylacetamide
Compound characteristics
| Compound ID: | 8017-7436 |
| Compound Name: | 2-(2-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1H-benzimidazol-1-yl)-N-cyclopentylacetamide |
| Molecular Weight: | 488.4 |
| Molecular Formula: | C22 H22 Br N3 O3 S |
| Smiles: | C1CCC(C1)NC(Cn1c2ccccc2nc1SCc1cc2c(cc1[Br])OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4031 |
| logD: | 5.3922 |
| logSw: | -5.6167 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.156 |
| InChI Key: | NIFKNHSMWHAQDC-UHFFFAOYSA-N |