2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C096-0033 |
| Compound Name: | 2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 643.74 |
| Molecular Formula: | C29 H33 N5 O8 S2 |
| Smiles: | Cc1c(c2C(N(CC(Nc3cc(c(c(c3)OC)OC)OC)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ccccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3011 |
| logD: | 2.3009 |
| logSw: | -3.0498 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.669 |
| InChI Key: | SMKBLYSGRUTTSF-UHFFFAOYSA-N |