methyl 3-[(3-benzyl-7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate
Chemical Structure Depiction of
methyl 3-[(3-benzyl-7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate
methyl 3-[(3-benzyl-7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | 3683-0079 |
| Compound Name: | methyl 3-[(3-benzyl-7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate |
| Molecular Weight: | 470.65 |
| Molecular Formula: | C25 H30 N2 O3 S2 |
| Smiles: | CC(C)(C)C1CCc2c3C(N(Cc4ccccc4)C(=Nc3sc2C1)SCCC(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1005 |
| logD: | 6.1005 |
| logSw: | -5.4849 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.444 |
| InChI Key: | FYYHKVWYGPQXAU-QGZVFWFLSA-N |