3-(4-fluorophenyl)-7-[(4-nitrophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-fluorophenyl)-7-[(4-nitrophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(4-fluorophenyl)-7-[(4-nitrophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V030-2393 |
| Compound Name: | 3-(4-fluorophenyl)-7-[(4-nitrophenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 421.39 |
| Molecular Formula: | C21 H16 F N5 O4 |
| Salt: | not_available |
| Smiles: | C=CCN1C(c2c(ncn2Cc2ccc(cc2)[N+]([O-])=O)N(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7895 |
| logD: | 2.7895 |
| logSw: | -3.0509 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.906 |
| InChI Key: | BUGMLIIBWDOFTF-UHFFFAOYSA-N |