ethyl 4-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]piperidine-1-carboxylate
ethyl 4-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | K292-1716 |
| Compound Name: | ethyl 4-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]piperidine-1-carboxylate |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C21 H22 N4 O5 S2 |
| Smiles: | CCOC(N1CCC(CC1)N1C(=Nc2ccsc2C1=O)SCc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2317 |
| logD: | 4.2317 |
| logSw: | -4.2639 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.173 |
| InChI Key: | CLDOBONNKYEKQN-UHFFFAOYSA-N |