2-{[1-benzyl-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[1-benzyl-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
2-{[1-benzyl-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V016-5105 |
| Compound Name: | 2-{[1-benzyl-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 447.5 |
| Molecular Formula: | C27 H21 N5 O2 |
| Smiles: | Cc1ccccc1N1C(N(Cc2ccccc2)C(c2c1ncn2Cc1ccccc1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2107 |
| logD: | 4.2107 |
| logSw: | -4.3834 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.03 |
| InChI Key: | XZZCEBQBHUMFCC-UHFFFAOYSA-N |