N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzamide
Chemical Structure Depiction of
N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzamide
N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzamide
Compound characteristics
| Compound ID: | 8007-7124 |
| Compound Name: | N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzamide |
| Molecular Weight: | 513.42 |
| Molecular Formula: | C25 H15 N5 O8 |
| Smiles: | C1=C(C(NC(N1)=O)=O)NC(c1cccc(c1)N1C(c2ccc(cc2C1=O)Oc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2797 |
| logD: | -0.3313 |
| logSw: | -3.1984 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 141.835 |
| InChI Key: | GCNKICLPVGUDRU-UHFFFAOYSA-N |