7-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-4836 |
| Compound Name: | 7-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C25 H25 F N4 O2 |
| Smiles: | CC(C)(C)c1ccc(Cn2cnc3c2C(N(CC=C)C(N3c2ccc(cc2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6583 |
| logD: | 4.6583 |
| logSw: | -4.3589 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.524 |
| InChI Key: | WODNIHUVXODKCJ-UHFFFAOYSA-N |