N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4112-4025 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 509.58 |
| Molecular Formula: | C25 H20 F N3 O4 S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c(cs2)c1ccc(cc1)F)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5302 |
| logD: | 4.5302 |
| logSw: | -4.5412 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.239 |
| InChI Key: | FAXBMAQCAMCSRL-UHFFFAOYSA-N |