N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-3-phenyl[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl)propanamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-3-phenyl[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl)propanamide
N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-3-phenyl[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl)propanamide
Compound characteristics
| Compound ID: | E898-2082 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-3-(4-oxo-3-phenyl[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl)propanamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | CSc1cccc(c1)NC(CCN1C=Nc2c(C1=O)c(c1ccccc1)no2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7323 |
| logD: | 2.7322 |
| logSw: | -3.3664 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.829 |
| InChI Key: | BDDOVXVYNUZEIH-UHFFFAOYSA-N |