N-(2H-1,3-benzodioxol-5-yl)-3-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanamide
N-(2H-1,3-benzodioxol-5-yl)-3-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | 3230-0957 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-{[5-(4-fluorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanamide |
| Molecular Weight: | 509.58 |
| Molecular Formula: | C25 H20 F N3 O4 S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c(cs2)c1ccc(cc1)F)SCCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9754 |
| logD: | 4.9754 |
| logSw: | -4.954 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.916 |
| InChI Key: | LEEWSKKRFJNSTH-UHFFFAOYSA-N |