3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | V023-8400 |
Compound Name: | 3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 501.47 |
Molecular Formula: | C26 H20 F N5 O5 |
Salt: | not_available |
Smiles: | COc1ccc(CN2C(c3c(ncn3Cc3cccc(c3)[N+]([O-])=O)N(C2=O)c2ccc(cc2)F)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.8264 |
logD: | 3.8264 |
logSw: | -4.0772 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 83.2 |
InChI Key: | MWAJDGGAOGANLM-UHFFFAOYSA-N |