methyl {[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-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 {[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
methyl {[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4386-0424 |
| Compound Name: | methyl {[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-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: | CC1(C)Cc2c3C(N(CCc4ccccc4)C(=Nc3sc2CO1)SCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0585 |
| logD: | 4.0585 |
| logSw: | -4.4585 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.12 |
| InChI Key: | RNFQNJNTFDGPJH-UHFFFAOYSA-N |