2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | D406-0432 |
| Compound Name: | 2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 519.64 |
| Molecular Formula: | C27 H25 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1)c1nc(c([nH]1)SCC(N1CCOc2ccc(C)cc12)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5855 |
| logD: | 5.558 |
| logSw: | -5.4236 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.471 |
| InChI Key: | FOVWANPJXILYKA-UHFFFAOYSA-N |