7-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-0575 |
| Compound Name: | 7-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 512.58 |
| Molecular Formula: | C30 H29 F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(Cn2cnc3c2C(N(Cc2ccc(cc2)OC)C(N3c2ccc(cc2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7587 |
| logD: | 5.7587 |
| logSw: | -5.5498 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.818 |
| InChI Key: | AJPLSAWOGMMORC-UHFFFAOYSA-N |