3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4(3H)-one
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K895-0056 |
| Compound Name: | 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 507.65 |
| Molecular Formula: | C27 H33 N5 O3 S |
| Smiles: | CC1CC(C)CN(C1)C(CN1C=Nc2c(C1=O)c(C)c(C(N1CCN(CC1)c1ccccc1)=O)s2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0869 |
| logD: | 3.0869 |
| logSw: | -3.2138 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.409 |
| InChI Key: | WLFXLLWJKHPTBD-UHFFFAOYSA-N |