3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | V018-8871 |
Compound Name: | 3-(3-fluorophenyl)-7-[(4-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 |
Salt: | not_available |
Smiles: | COc1ccc(Cn2cnc3c2C(N(CC=C)C(N3c2cccc(c2)F)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.8926 |
logD: | 2.8926 |
logSw: | -3.2118 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 50.068 |
InChI Key: | IAAUKASECQKJJF-UHFFFAOYSA-N |