4-{[4-(7-methyl-8-oxo-7,8-dihydro-9H-purin-9-yl)piperidin-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[4-(7-methyl-8-oxo-7,8-dihydro-9H-purin-9-yl)piperidin-1-yl]methyl}benzonitrile
4-{[4-(7-methyl-8-oxo-7,8-dihydro-9H-purin-9-yl)piperidin-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | P814-5887 |
| Compound Name: | 4-{[4-(7-methyl-8-oxo-7,8-dihydro-9H-purin-9-yl)piperidin-1-yl]methyl}benzonitrile |
| Molecular Weight: | 348.41 |
| Molecular Formula: | C19 H20 N6 O |
| Smiles: | CN1C(N(C2CCN(CC2)Cc2ccc(C#N)cc2)c2c1cncn2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8175 |
| logD: | 1.553 |
| logSw: | -1.768 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.267 |
| InChI Key: | XRYSZYURUMGMFI-UHFFFAOYSA-N |