3-ethyl-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-ethyl-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3-ethyl-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 2969-0111 |
| Compound Name: | 3-ethyl-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 414.54 |
| Molecular Formula: | C21 H22 N2 O3 S2 |
| Smiles: | CCN1C(=Nc2c(C1=O)c1CC(C)(C)OCc1s2)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0594 |
| logD: | 4.0594 |
| logSw: | -4.3014 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.534 |
| InChI Key: | QHTVHQBYWZSJPE-UHFFFAOYSA-N |