N-(2-chloro-4-methylphenyl)-2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-5(6H)-yl}acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-5(6H)-yl}acetamide
N-(2-chloro-4-methylphenyl)-2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-5(6H)-yl}acetamide
Compound characteristics
| Compound ID: | E843-0260 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-{6,8-dioxo-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-5(6H)-yl}acetamide |
| Molecular Weight: | 545.94 |
| Molecular Formula: | C27 H20 Cl N5 O6 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CN1C(N(Cc2nc(c3ccccc3)no2)C(c2cc3c(cc12)OCO3)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3504 |
| logD: | 5.3503 |
| logSw: | -5.7858 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.177 |
| InChI Key: | TUCMXEBIVMMYKB-UHFFFAOYSA-N |