2-{1-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl}-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{1-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl}-N-(propan-2-yl)acetamide
2-{1-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl}-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | M785-1408 |
| Compound Name: | 2-{1-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl}-N-(propan-2-yl)acetamide |
| Molecular Weight: | 443.86 |
| Molecular Formula: | C22 H19 Cl F N3 O4 |
| Smiles: | CC(C)NC(CN1C(c2c(c3ccccc3o2)N(Cc2c(cccc2[Cl])F)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0433 |
| logD: | 4.0433 |
| logSw: | -4.2956 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.289 |
| InChI Key: | PDKKSIVNYXRPIX-UHFFFAOYSA-N |