4-{[3-(4-fluorophenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetyl}benzonitrile
Chemical Structure Depiction of
4-{[3-(4-fluorophenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetyl}benzonitrile
4-{[3-(4-fluorophenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetyl}benzonitrile
Compound characteristics
| Compound ID: | V029-7574 |
| Compound Name: | 4-{[3-(4-fluorophenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetyl}benzonitrile |
| Molecular Weight: | 445.45 |
| Molecular Formula: | C24 H20 F N5 O3 |
| Smiles: | CC(C)CN1C(c2c(ncn2CC(c2ccc(C#N)cc2)=O)N(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7733 |
| logD: | 2.7733 |
| logSw: | -3.0859 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.849 |
| InChI Key: | WMKVLWVDPQVQNL-UHFFFAOYSA-N |