ethyl 3-(2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamido)benzoate
ethyl 3-(2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C066-2373 |
| Compound Name: | ethyl 3-(2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamido)benzoate |
| Molecular Weight: | 597.67 |
| Molecular Formula: | C26 H27 N7 O6 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCN(CC1)c1ncccn1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8665 |
| logD: | 2.8665 |
| logSw: | -3.324 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.478 |
| InChI Key: | RSWGDXIADHXIAR-UHFFFAOYSA-N |