2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-(4-nitrobenzoyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-(4-nitrobenzoyl)-1H-isoindole-1,3(2H)-dione
2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-(4-nitrobenzoyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | 2372-2839 |
Compound Name: | 2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-(4-nitrobenzoyl)-1H-isoindole-1,3(2H)-dione |
Molecular Weight: | 406.31 |
Molecular Formula: | C19 H10 N4 O7 |
Smiles: | C1=C(C(NC(N1)=O)=O)N1C(c2ccc(cc2C1=O)C(c1ccc(cc1)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.325 |
logD: | -0.4104 |
logSw: | -2.5152 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 124.227 |
InChI Key: | CYVUDLZPMUGSTB-UHFFFAOYSA-N |