7-acetyl-3-(4-fluorophenyl)-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-acetyl-3-(4-fluorophenyl)-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
7-acetyl-3-(4-fluorophenyl)-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C728-0002 |
| Compound Name: | 7-acetyl-3-(4-fluorophenyl)-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 517.54 |
| Molecular Formula: | C26 H20 F N5 O4 S |
| Smiles: | CC(N1CCc2c3C(N(C(N(CC4=CC(N5C=CC=CC5=N4)=O)c3sc2C1)=O)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8394 |
| logD: | 1.8394 |
| logSw: | -2.3703 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.143 |
| InChI Key: | NKSJMDMCGNJZRD-UHFFFAOYSA-N |