N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L459-0459 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C24 H19 N3 O4 S2 |
| Smiles: | C=CCN1C(=Nc2cc(c3ccccc3)sc2C1=O)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8944 |
| logD: | 4.8944 |
| logSw: | -4.7644 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.033 |
| InChI Key: | CXZZCTJEYLJWCU-UHFFFAOYSA-N |