3-benzyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Chemical Structure Depiction of
3-benzyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
3-benzyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Compound characteristics
| Compound ID: | C258-0453 |
| Compound Name: | 3-benzyl-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C26 H22 N4 O3 S |
| Smiles: | CC1=CC=CC2=NC(CN3C(N(Cc4ccccc4)C(c4c5CCCc5sc34)=O)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9221 |
| logD: | 3.9221 |
| logSw: | -4.2889 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.656 |
| InChI Key: | RRWDXWUDDHEJGR-UHFFFAOYSA-N |