N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D406-0513 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 507.59 |
| Molecular Formula: | C25 H21 N3 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(c1c([nH]c(c2ccccc2)n1)SCC(Nc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2507 |
| logD: | 5.2222 |
| logSw: | -5.0788 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.727 |
| InChI Key: | IESNQAPVSLPQES-UHFFFAOYSA-N |