N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Compound characteristics
| Compound ID: | C096-0126 |
| Compound Name: | N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 630.83 |
| Molecular Formula: | C30 H42 N6 O5 S2 |
| Smiles: | CC1CC(C)CN(CCCNC(CN2C=Nc3c(C2=O)c(c(C)s3)S(N2CCN(CC2)c2ccccc2OC)(=O)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4815 |
| logD: | -0.1233 |
| logSw: | -2.8044 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.704 |
| InChI Key: | FSUALGNKZNVMGV-UHFFFAOYSA-N |