7-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
7-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
7-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | G656-0754 |
| Compound Name: | 7-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 497.48 |
| Molecular Formula: | C27 H20 F N5 O4 |
| Smiles: | C(c1ccccc1)N1C(N(c2ccc(cc2)F)c2c1c(C(N)=O)nc(c1ccc3c(c1)OCCO3)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2473 |
| logD: | 4.2473 |
| logSw: | -4.6275 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.63 |
| InChI Key: | VTCRKIDQUFAZFI-UHFFFAOYSA-N |