2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)acetamide
Chemical Structure Depiction of
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)acetamide
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)acetamide
Compound characteristics
| Compound ID: | G566-0928 |
| Compound Name: | 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)acetamide |
| Molecular Weight: | 474.49 |
| Molecular Formula: | C24 H18 N4 O5 S |
| Smiles: | CC1=CC2=NC(CSc3ccc(cc3)NC(CN3C(c4ccccc4C3=O)=O)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2759 |
| logD: | 2.2759 |
| logSw: | -3.0215 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.833 |
| InChI Key: | LBUJTGNNXXVAIY-UHFFFAOYSA-N |