7-[(4-fluorophenyl)methyl]-3-methyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-fluorophenyl)methyl]-3-methyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-fluorophenyl)methyl]-3-methyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7706-0436 |
| Compound Name: | 7-[(4-fluorophenyl)methyl]-3-methyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C18 H22 F N5 O2 |
| Smiles: | CC(C)CCNc1nc2c(C(NC(N2C)=O)=O)n1Cc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.4418 |
| logD: | 3.4417 |
| logSw: | -3.7346 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.873 |
| InChI Key: | VKUGPAATVQXZLX-UHFFFAOYSA-N |