N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(4-fluorophenyl)-2,4-dioxo-1,2,4,5-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-3-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(4-fluorophenyl)-2,4-dioxo-1,2,4,5-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-3-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(4-fluorophenyl)-2,4-dioxo-1,2,4,5-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-3-yl]acetamide
Compound characteristics
| Compound ID: | F986-0130 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(4-fluorophenyl)-2,4-dioxo-1,2,4,5-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-3-yl]acetamide |
| Molecular Weight: | 436.4 |
| Molecular Formula: | C22 H17 F N4 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(c2c(c(c[nH]2)c2ccc(cc2)F)NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5205 |
| logD: | 2.5204 |
| logSw: | -3.1781 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.561 |
| InChI Key: | BRSIMPANGQLVNU-UHFFFAOYSA-N |