3-(3,4-dichlorophenyl)-1-[(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-(3,4-dichlorophenyl)-1-[(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-(3,4-dichlorophenyl)-1-[(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: | C258-0723 |
| Compound Name: | 3-(3,4-dichlorophenyl)-1-[(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: | 525.41 |
| Molecular Formula: | C25 H18 Cl2 N4 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(C(N(CC3=CC(N4C=CC=CC4=N3)=O)c1s2)=O)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6644 |
| logD: | 4.6644 |
| logSw: | -5.2187 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.014 |
| InChI Key: | GNKKETALABYMAG-UHFFFAOYSA-N |