ethyl 2-(2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamido)benzoate
ethyl 2-(2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C096-0101 |
| Compound Name: | ethyl 2-(2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamido)benzoate |
| Molecular Weight: | 625.72 |
| Molecular Formula: | C29 H31 N5 O7 S2 |
| Smiles: | CCOC(c1ccccc1NC(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCN(CC1)c1ccccc1OC)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1888 |
| logD: | 3.1787 |
| logSw: | -3.688 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.747 |
| InChI Key: | DBLIQMMDAJRJQK-UHFFFAOYSA-N |