3-[3-(2-chloro-5-methoxyphenyl)-4-oxo[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
Chemical Structure Depiction of
3-[3-(2-chloro-5-methoxyphenyl)-4-oxo[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
3-[3-(2-chloro-5-methoxyphenyl)-4-oxo[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide
Compound characteristics
| Compound ID: | E898-1995 |
| Compound Name: | 3-[3-(2-chloro-5-methoxyphenyl)-4-oxo[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide |
| Molecular Weight: | 498.99 |
| Molecular Formula: | C24 H23 Cl N4 O4 S |
| Smiles: | COc1ccc(c(c1)c1c2C(N(CCC(NCCc3ccc(cc3)SC)=O)C=Nc2on1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.231 |
| logD: | 3.231 |
| logSw: | -4.0572 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.537 |
| InChI Key: | HBNAVLIWMBHTCG-UHFFFAOYSA-N |