N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Compound characteristics
| Compound ID: | C210-0097 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 597.67 |
| Molecular Formula: | C26 H27 N7 O6 S2 |
| Smiles: | Cc1c(c2C(N(CC(NCC3COc4ccccc4O3)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4306 |
| logD: | 1.4306 |
| logSw: | -2.5981 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.726 |
| InChI Key: | VGTMSGJBAIBXAZ-SFHVURJKSA-N |