1-ethyl-3-(4-fluorophenyl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-ethyl-3-(4-fluorophenyl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1-ethyl-3-(4-fluorophenyl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-5420 |
| Compound Name: | 1-ethyl-3-(4-fluorophenyl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 409.38 |
| Molecular Formula: | C20 H16 F N5 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2ccc(cc2)[N+]([O-])=O)N(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6345 |
| logD: | 2.6345 |
| logSw: | -2.7381 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.652 |
| InChI Key: | ZGIAFAMNXGUFDQ-UHFFFAOYSA-N |