pentyl [(3-benzyl-7-tert-butyl-4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
pentyl [(3-benzyl-7-tert-butyl-4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
pentyl [(3-benzyl-7-tert-butyl-4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 3807-1262 |
| Compound Name: | pentyl [(3-benzyl-7-tert-butyl-4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 514.75 |
| Molecular Formula: | C28 H38 N2 O3 S2 |
| Smiles: | CCCCCOC(CSC1Nc2c(C(N1Cc1ccccc1)=O)c1CCC(Cc1s2)C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.147 |
| logD: | 7.147 |
| logSw: | -5.563 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.083 |
| InChI Key: | AMXSYTDHJGGSKQ-UHFFFAOYSA-N |