2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}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-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)acetamide
2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)acetamide
Compound characteristics
| Compound ID: | C066-2378 |
| Compound Name: | 2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)acetamide |
| Molecular Weight: | 650.82 |
| Molecular Formula: | C31 H38 N8 O4 S2 |
| Smiles: | Cc1cccc(CN2CCC(CC2)CNC(CN2C=Nc3c(C2=O)c(c(C)s3)S(N2CCN(CC2)c2ncccn2)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8365 |
| logD: | 0.3442 |
| logSw: | -3.4046 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.779 |
| InChI Key: | NVCSMYKWGGOMAL-UHFFFAOYSA-N |