1-benzyl-7-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-benzyl-7-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
1-benzyl-7-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-5251 |
| Compound Name: | 1-benzyl-7-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 456.48 |
| Molecular Formula: | C26 H21 F N4 O3 |
| Salt: | not_available |
| Smiles: | COc1ccccc1N1C(N(Cc2ccccc2)C(c2c1ncn2Cc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9343 |
| logD: | 3.9343 |
| logSw: | -4.0374 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.604 |
| InChI Key: | OTTMXUIREAOBCS-UHFFFAOYSA-N |