ethyl 4-{[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}piperazine-1-carboxylate
ethyl 4-{[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C186-0446 |
| Compound Name: | ethyl 4-{[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 539.67 |
| Molecular Formula: | C23 H33 N5 O6 S2 |
| Smiles: | CCOC(N1CCN(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: | 1.645 |
| logD: | 1.645 |
| logSw: | -2.0574 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.992 |
| InChI Key: | OETGZZYAOREJKY-UHFFFAOYSA-N |