methyl [(3-benzyl-6-ethyl-6-methyl-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
methyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
methyl [(3-benzyl-6-ethyl-6-methyl-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: | Y500-1221 |
| Compound Name: | methyl [(3-benzyl-6-ethyl-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C22 H24 N2 O4 S2 |
| Smiles: | CCC1(C)Cc2c3C(N(Cc4ccccc4)C(=Nc3sc2CO1)SCC(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4069 |
| logD: | 4.4069 |
| logSw: | -4.6105 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.336 |
| InChI Key: | HXMUVDAZZFCKND-QFIPXVFZSA-N |