6,6-dimethyl-3-(3-methylphenyl)-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
6,6-dimethyl-3-(3-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
6,6-dimethyl-3-(3-methylphenyl)-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: | 8640-0397 |
| Compound Name: | 6,6-dimethyl-3-(3-methylphenyl)-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: | 476.62 |
| Molecular Formula: | C26 H24 N2 O3 S2 |
| Smiles: | Cc1cccc(c1)N1C(=Nc2c(C1=O)c1CC(C)(C)OCc1s2)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3865 |
| logD: | 5.3865 |
| logSw: | -5.5136 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.926 |
| InChI Key: | GTQKOEKJMRVKET-UHFFFAOYSA-N |