1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C241-0769 |
| Compound Name: | 1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 504.87 |
| Molecular Formula: | C22 H12 Cl F3 N4 O3 S |
| Smiles: | C(C1=CC(N2C=C(C=CC2=N1)[Cl])=O)N1C(N(C(c2c1ccs2)=O)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2308 |
| logD: | 3.2308 |
| logSw: | -3.6282 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.179 |
| InChI Key: | ZCQDWWGNTFSLSE-UHFFFAOYSA-N |