5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}thieno[2,3-d]pyrimidin-4(3H)-one
5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C186-0454 |
| Compound Name: | 5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C25 H32 N6 O4 S2 |
| Smiles: | CC1CC(C)CN(C1)S(c1c2C(N(CC(N3CCN(CC3)c3ccccn3)=O)C=Nc2sc1C)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4101 |
| logD: | 2.4013 |
| logSw: | -2.5335 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.983 |
| InChI Key: | MLAWOFPWVVADSQ-UHFFFAOYSA-N |