7-[(4-fluorophenyl)methyl]-3-methyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-fluorophenyl)methyl]-3-methyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
7-[(4-fluorophenyl)methyl]-3-methyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4236-1134 |
| Compound Name: | 7-[(4-fluorophenyl)methyl]-3-methyl-8-[(prop-2-en-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 329.33 |
| Molecular Formula: | C16 H16 F N5 O2 |
| Smiles: | CN1C(NC(c2c1nc(NCC=C)n2Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3362 |
| logD: | 2.3362 |
| logSw: | -2.9366 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.873 |
| InChI Key: | KCZYLPUGIBIWHO-UHFFFAOYSA-N |