2-(7-acetyl-3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(3-fluoro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-(7-acetyl-3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(3-fluoro-4-methylphenyl)acetamide
2-(7-acetyl-3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C728-0231 |
| Compound Name: | 2-(7-acetyl-3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 520.58 |
| Molecular Formula: | C27 H25 F N4 O4 S |
| Smiles: | CC(N1CCc2c3C(N(Cc4ccccc4)C(N(CC(Nc4ccc(C)c(c4)F)=O)c3sc2C1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2973 |
| logD: | 4.2972 |
| logSw: | -4.4113 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.917 |
| InChI Key: | RTXXBXBOQPNYSH-UHFFFAOYSA-N |