2-(hexylsulfanyl)-6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-(hexylsulfanyl)-6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
2-(hexylsulfanyl)-6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3807-1726 |
| Compound Name: | 2-(hexylsulfanyl)-6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 406.61 |
| Molecular Formula: | C21 H30 N2 O2 S2 |
| Smiles: | CCCCCCSC1=Nc2c(C(N1CC(C)=C)=O)c1CC(C)(C)OCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 6.6471 |
| logD: | 6.6471 |
| logSw: | -5.7504 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.834 |
| InChI Key: | ULMOBIZDOHWLPS-UHFFFAOYSA-N |