pentyl [(3-benzyl-6,6-dimethyl-4-oxo-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 [(3-benzyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
pentyl [(3-benzyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 3807-1183 |
| Compound Name: | pentyl [(3-benzyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 486.65 |
| Molecular Formula: | C25 H30 N2 O4 S2 |
| Smiles: | CCCCCOC(CSC1=Nc2c(C(N1Cc1ccccc1)=O)c1CC(C)(C)OCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9727 |
| logD: | 5.9727 |
| logSw: | -5.3411 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.015 |
| InChI Key: | CCPHBVUKVNBOPU-UHFFFAOYSA-N |