4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzonitrile
Chemical Structure Depiction of
4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzonitrile
4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzonitrile
Compound characteristics
| Compound ID: | C406-0219 |
| Compound Name: | 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzonitrile |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Smiles: | CCCCCCCn1c2C(N(C)C(N(C)c2nc1Oc1ccc(C#N)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0399 |
| logD: | 5.0399 |
| logSw: | -4.6588 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.059 |
| InChI Key: | SUZVRYGVPOTFAV-UHFFFAOYSA-N |