2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-[3-(4-methylpiperidin-1-yl)propyl]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-methylpiperidin-1-yl)propyl]acetamide
2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | C096-0124 |
| Compound Name: | 2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide |
| Molecular Weight: | 616.8 |
| Molecular Formula: | C29 H40 N6 O5 S2 |
| Smiles: | CC1CCN(CCCNC(CN2C=Nc3c(C2=O)c(c(C)s3)S(N2CCN(CC2)c2ccccc2OC)(=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.0325 |
| logD: | -0.4856 |
| logSw: | -2.6622 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.838 |
| InChI Key: | IQTPCYHYTMTDCH-UHFFFAOYSA-N |