2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(2-phenylethyl)acetamide
2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | C200-0737 |
| Compound Name: | 2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C27 H27 N3 O3 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCc3sc2N(CC(NCCc2ccccc2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5373 |
| logD: | 4.5373 |
| logSw: | -4.4562 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.707 |
| InChI Key: | KYRQWHJOQDUIOL-UHFFFAOYSA-N |