methyl 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
methyl 2-(2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamido)benzoate
methyl 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: | C096-0063 |
| Compound Name: | methyl 2-(2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamido)benzoate |
| Molecular Weight: | 611.7 |
| Molecular Formula: | C28 H29 N5 O7 S2 |
| Smiles: | Cc1c(c2C(N(CC(Nc3ccccc3C(=O)OC)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ccccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6451 |
| logD: | 2.6351 |
| logSw: | -3.404 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.167 |
| InChI Key: | UMBPOTFVYVXGJB-UHFFFAOYSA-N |