methyl 2-{3-[3-(2-chlorophenyl)-4-oxo[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl]propanamido}benzoate
Chemical Structure Depiction of
methyl 2-{3-[3-(2-chlorophenyl)-4-oxo[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl]propanamido}benzoate
methyl 2-{3-[3-(2-chlorophenyl)-4-oxo[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | E898-1649 |
| Compound Name: | methyl 2-{3-[3-(2-chlorophenyl)-4-oxo[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl]propanamido}benzoate |
| Molecular Weight: | 452.85 |
| Molecular Formula: | C22 H17 Cl N4 O5 |
| Smiles: | COC(c1ccccc1NC(CCN1C=Nc2c(C1=O)c(c1ccccc1[Cl])no2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5425 |
| logD: | 2.4883 |
| logSw: | -3.5665 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.305 |
| InChI Key: | JKADSPYGHDHOFK-UHFFFAOYSA-N |