methyl 2-[2-(7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamido]benzoate
methyl 2-[2-(7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | K305-0495 |
| Compound Name: | methyl 2-[2-(7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamido]benzoate |
| Molecular Weight: | 532.57 |
| Molecular Formula: | C27 H24 N4 O6 S |
| Smiles: | CC(N1CCc2c3C(N(C(N(CC(Nc4ccccc4C(=O)OC)=O)c3sc2C1)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5504 |
| logD: | 2.542 |
| logSw: | -3.087 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.782 |
| InChI Key: | DMFXWNLHBCWSDT-UHFFFAOYSA-N |