2-[(7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-[(7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-[(7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | C200-3864 |
| Compound Name: | 2-[(7-acetyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 578.71 |
| Molecular Formula: | C29 H30 N4 O5 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SCC(NCCc1ccc(c(c1)OC)OC)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3587 |
| logD: | 2.3587 |
| logSw: | -2.8993 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.685 |
| InChI Key: | YNBLEYRJOSCRQU-UHFFFAOYSA-N |