7-[(4-fluorophenyl)methyl]-3-methyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-fluorophenyl)methyl]-3-methyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-fluorophenyl)methyl]-3-methyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4550-0082 |
| Compound Name: | 7-[(4-fluorophenyl)methyl]-3-methyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C21 H20 F N5 O2 |
| Smiles: | CN1C(NC(c2c1nc(NCCc1ccccc1)n2Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3489 |
| logD: | 3.3488 |
| logSw: | -3.6415 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.602 |
| InChI Key: | UNDJOXBBAWQBQP-UHFFFAOYSA-N |