N-{[4-(methylsulfanyl)phenyl]methyl}-3-(7-oxo-3-phenyl[1,2]oxazolo[4,5-d]pyrimidin-6(7H)-yl)propanamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-3-(7-oxo-3-phenyl[1,2]oxazolo[4,5-d]pyrimidin-6(7H)-yl)propanamide
N-{[4-(methylsulfanyl)phenyl]methyl}-3-(7-oxo-3-phenyl[1,2]oxazolo[4,5-d]pyrimidin-6(7H)-yl)propanamide
Compound characteristics
| Compound ID: | L429-0440 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-3-(7-oxo-3-phenyl[1,2]oxazolo[4,5-d]pyrimidin-6(7H)-yl)propanamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CSc1ccc(CNC(CCN2C=Nc3c(c4ccccc4)noc3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.833 |
| logD: | 2.833 |
| logSw: | -3.3189 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.697 |
| InChI Key: | NZZZEIXWLGTKLM-UHFFFAOYSA-N |