methyl 2-[3-(4-oxo-3-phenyl[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 2-[3-(4-oxo-3-phenyl[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl)propanamido]benzoate
methyl 2-[3-(4-oxo-3-phenyl[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | E898-2046 |
| Compound Name: | methyl 2-[3-(4-oxo-3-phenyl[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl)propanamido]benzoate |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C22 H18 N4 O5 |
| Smiles: | COC(c1ccccc1NC(CCN1C=Nc2c(C1=O)c(c1ccccc1)no2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9959 |
| logD: | 1.9417 |
| logSw: | -2.8149 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.305 |
| InChI Key: | IBXGIYPOYBHOEL-UHFFFAOYSA-N |