3-(3-fluorophenyl)-7-[(2-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-fluorophenyl)-7-[(2-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(3-fluorophenyl)-7-[(2-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V028-8059 |
| Compound Name: | 3-(3-fluorophenyl)-7-[(2-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C22 H19 F N4 O3 |
| Smiles: | COc1ccccc1Cn1cnc2c1C(N(CC=C)C(N2c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0268 |
| logD: | 3.0268 |
| logSw: | -3.2142 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.155 |
| InChI Key: | SMGQOUIJMLXJIR-UHFFFAOYSA-N |