2-{[6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
2-{[6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8640-0473 |
| Compound Name: | 2-{[6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 469.62 |
| Molecular Formula: | C24 H27 N3 O3 S2 |
| Smiles: | [H]N(C(CSC1=Nc2c(C(N1CC(C)=C)=O)c1CC(C)(C)OCc1s2)=O)c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2512 |
| logD: | 5.2512 |
| logSw: | -5.1664 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.712 |
| InChI Key: | LKDLYZVAEYPBMQ-UHFFFAOYSA-N |