ethyl 1-{[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}piperidine-4-carboxylate
ethyl 1-{[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C186-0404 |
| Compound Name: | ethyl 1-{[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}piperidine-4-carboxylate |
| Molecular Weight: | 538.68 |
| Molecular Formula: | C24 H34 N4 O6 S2 |
| Smiles: | CCOC(C1CCN(CC1)C(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CC(C)CC(C)C1)(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0198 |
| logD: | 2.0198 |
| logSw: | -2.1298 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.965 |
| InChI Key: | MZLINOBHPYOHNJ-UHFFFAOYSA-N |