7-benzyl-3-(3-fluorophenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-3-(3-fluorophenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-3-(3-fluorophenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V025-0210 |
| Compound Name: | 7-benzyl-3-(3-fluorophenyl)-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C22 H21 F N4 O2 |
| Smiles: | CC(C)CN1C(c2c(ncn2Cc2ccccc2)N(C1=O)c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6657 |
| logD: | 3.6657 |
| logSw: | -3.8735 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.546 |
| InChI Key: | XRBIWCVEOMWRDI-UHFFFAOYSA-N |