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-(4-sulfamoylphenyl)ethyl]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-(4-sulfamoylphenyl)ethyl]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-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | C200-0549 |
| 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-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 552.67 |
| Molecular Formula: | C27 H28 N4 O5 S2 |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCc3sc2N(CC(NCCc2ccc(cc2)S(N)(=O)=O)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8979 |
| logD: | 2.8971 |
| logSw: | -3.5787 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.31 |
| InChI Key: | UIJVARSTJYEDSU-UHFFFAOYSA-N |