pentyl [(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
pentyl [(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
pentyl [(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 3807-1369 |
| Compound Name: | pentyl [(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 472.62 |
| Molecular Formula: | C24 H28 N2 O4 S2 |
| Smiles: | CCCCCOC(CSC1=Nc2c(C(N1c1ccccc1)=O)c1CC(C)(C)OCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3777 |
| logD: | 5.3777 |
| logSw: | -5.2677 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.404 |
| InChI Key: | YPLYUTQWVBPIDC-UHFFFAOYSA-N |