ethyl 4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}piperidine-1-carboxylate
ethyl 4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | K292-1271 |
| Compound Name: | ethyl 4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}piperidine-1-carboxylate |
| Molecular Weight: | 500.64 |
| Molecular Formula: | C24 H28 N4 O4 S2 |
| Smiles: | CCOC(N1CCC(CC1)N1C(=Nc2ccsc2C1=O)SCC(NCc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8721 |
| logD: | 3.8721 |
| logSw: | -3.7872 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.263 |
| InChI Key: | SZMLSECYMWODHD-UHFFFAOYSA-N |