N-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-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: | E843-0233 |
Compound Name: | N-(3-chloro-4-methoxyphenyl)-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: | 561.94 |
Molecular Formula: | C27 H20 Cl N5 O7 |
Smiles: | COc1ccc(cc1[Cl])NC(CN1C(N(Cc2nc(c3ccccc3)no2)C(c2cc3c(cc12)OCO3)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1372 |
logD: | 5.137 |
logSw: | -5.4634 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 110.505 |
InChI Key: | TTYZDMNZYJJHMB-UHFFFAOYSA-N |