methyl 2-(2-{[3-(6-{[(4-methylphenyl)methyl]amino}-6-oxohexyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[3-(6-{[(4-methylphenyl)methyl]amino}-6-oxohexyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[3-(6-{[(4-methylphenyl)methyl]amino}-6-oxohexyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K292-1166 |
| Compound Name: | methyl 2-(2-{[3-(6-{[(4-methylphenyl)methyl]amino}-6-oxohexyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 592.74 |
| Molecular Formula: | C30 H32 N4 O5 S2 |
| Smiles: | Cc1ccc(CNC(CCCCCN2C(=Nc3ccsc3C2=O)SCC(Nc2ccccc2C(=O)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4342 |
| logD: | 4.4259 |
| logSw: | -4.2625 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.865 |
| InChI Key: | ZBIMXWYJSHCGMC-UHFFFAOYSA-N |