2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(3-methyl-1H-pyrazol-5-yl)acetamide
Chemical Structure Depiction of
2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(3-methyl-1H-pyrazol-5-yl)acetamide
2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(3-methyl-1H-pyrazol-5-yl)acetamide
Compound characteristics
| Compound ID: | C258-0542 |
| Compound Name: | 2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(3-methyl-1H-pyrazol-5-yl)acetamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCCCc3sc2N(CC(Nc2cc(C)n[nH]2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5598 |
| logD: | 4.5595 |
| logSw: | -4.3831 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.643 |
| InChI Key: | ZZPKPRKSIDAKFL-UHFFFAOYSA-N |