2-{[4-oxo-6-(propan-2-yl)-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[4-oxo-6-(propan-2-yl)-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide
2-{[4-oxo-6-(propan-2-yl)-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | 8640-0435 |
| Compound Name: | 2-{[4-oxo-6-(propan-2-yl)-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C23 H25 N3 O3 S2 |
| Smiles: | [H]N(C(CSC1=Nc2c(C(N1CC=C)=O)c1CC(C(C)C)OCc1s2)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5053 |
| logD: | 4.5053 |
| logSw: | -4.4146 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.345 |
| InChI Key: | YUZBGKYUTURYEY-QGZVFWFLSA-N |