3-(4-ethylphenyl)-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(4-ethylphenyl)-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-(4-ethylphenyl)-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C258-0375 |
| Compound Name: | 3-(4-ethylphenyl)-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | CCc1ccc(cc1)N1C(c2c3CCCCc3sc2N(CC2=CC(N3C(C)=CC=CC3=N2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5629 |
| logD: | 4.5629 |
| logSw: | -4.5168 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.679 |
| InChI Key: | PVBLOEVTCHQACS-UHFFFAOYSA-N |