N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(furan-2-yl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(furan-2-yl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(furan-2-yl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 5067-0907 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(furan-2-yl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 517.58 |
| Molecular Formula: | C26 H19 N3 O5 S2 |
| Smiles: | C1COc2cc(ccc2O1)NC(CSC1=Nc2c(C(N1c1ccccc1)=O)c(cs2)c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3745 |
| logD: | 3.3745 |
| logSw: | -3.8219 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.341 |
| InChI Key: | XOUPKOSQXGBTPE-UHFFFAOYSA-N |