7,7-dimethyl-2-(methylsulfanyl)-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7,7-dimethyl-2-(methylsulfanyl)-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
7,7-dimethyl-2-(methylsulfanyl)-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8640-0230 |
| Compound Name: | 7,7-dimethyl-2-(methylsulfanyl)-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 282.38 |
| Molecular Formula: | C12 H14 N2 O2 S2 |
| Smiles: | [H]N1C(=Nc2c3COC(C)(C)Cc3sc2C1=O)SC |
| Stereo: | ACHIRAL |
| logP: | 2.5182 |
| logD: | 2.4674 |
| logSw: | -2.5547 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.157 |
| InChI Key: | AEWLJFHXFLWFEP-UHFFFAOYSA-N |