2-{[3-(4-fluorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(4-fluorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
2-{[3-(4-fluorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V021-4588 |
| Compound Name: | 2-{[3-(4-fluorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C27 H20 F N5 O2 |
| Salt: | not_available |
| Smiles: | C(CN1C(c2c(ncn2Cc2ccccc2C#N)N(C1=O)c1ccc(cc1)F)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9658 |
| logD: | 3.9658 |
| logSw: | -4.3177 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.309 |
| InChI Key: | VWTRABWLPQFBLK-UHFFFAOYSA-N |