2-[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide
Chemical Structure Depiction of
2-[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide
2-[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide
Compound characteristics
| Compound ID: | C186-0483 |
| Compound Name: | 2-[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide |
| Molecular Weight: | 573.78 |
| Molecular Formula: | C28 H39 N5 O4 S2 |
| Smiles: | CCN(CCCNC(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CC(C)CC(C)C1)(=O)=O)=O)c1cccc(C)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7252 |
| logD: | 3.6929 |
| logSw: | -3.9892 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.122 |
| InChI Key: | SASZJRGUACUVAM-UHFFFAOYSA-N |