2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}-N-[(4-methylphenyl)methyl]acetamide
2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C066-2409 |
| Compound Name: | 2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 553.66 |
| Molecular Formula: | C25 H27 N7 O4 S2 |
| Smiles: | Cc1ccc(CNC(CN2C=Nc3c(C2=O)c(c(C)s3)S(N2CCN(CC2)c2ncccn2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0856 |
| logD: | 2.0856 |
| logSw: | -2.7821 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.046 |
| InChI Key: | BYYNEOOLFTVTFC-UHFFFAOYSA-N |