N-[(2H-1,3-benzodioxol-5-yl)methyl]-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)methyl]-2-{[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D406-0512 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(4-methylbenzene-1-sulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 521.61 |
| Molecular Formula: | C26 H23 N3 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(c1c([nH]c(c2ccccc2)n1)SCC(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.012 |
| logD: | 4.9835 |
| logSw: | -4.6774 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.049 |
| InChI Key: | OAZRSBZUEOPBOM-UHFFFAOYSA-N |