3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C186-0427 |
| Compound Name: | 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 556.75 |
| Molecular Formula: | C28 H36 N4 O4 S2 |
| Smiles: | CC1CC(C)CN(C1)S(c1c2C(N(CC(N3CCC(CC3)Cc3ccccc3)=O)C=Nc2sc1C)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.078 |
| logD: | 4.078 |
| logSw: | -4.3118 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.94 |
| InChI Key: | BCUJHXKTLNAFQR-UHFFFAOYSA-N |