6-ethyl-2-(hexylsulfanyl)-6-methyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
6-ethyl-2-(hexylsulfanyl)-6-methyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
6-ethyl-2-(hexylsulfanyl)-6-methyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5627-0310 |
| Compound Name: | 6-ethyl-2-(hexylsulfanyl)-6-methyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 456.67 |
| Molecular Formula: | C25 H32 N2 O2 S2 |
| Smiles: | CCCCCCSC1=Nc2c(C(N1c1ccc(C)cc1)=O)c1CC(C)(CC)OCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5561 |
| logD: | 7.5561 |
| logSw: | -5.7255 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.145 |
| InChI Key: | QBBSQQJAAKVNDP-VWLOTQADSA-N |