3-{5-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}phenyl acetate
Chemical Structure Depiction of
3-{5-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}phenyl acetate
3-{5-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}phenyl acetate
Compound characteristics
| Compound ID: | 2922-1979 |
| Compound Name: | 3-{5-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbamoyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}phenyl acetate |
| Molecular Weight: | 434.36 |
| Molecular Formula: | C21 H14 N4 O7 |
| Smiles: | CC(=O)Oc1cccc(c1)N1C(c2ccc(cc2C1=O)C(NC1=CNC(NC1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2645 |
| logD: | -3.2186 |
| logSw: | -2.3497 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.457 |
| InChI Key: | KXJLPMKPWNUJQP-UHFFFAOYSA-N |