4-{[8-(4-tert-butylphenoxy)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[8-(4-tert-butylphenoxy)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
4-{[8-(4-tert-butylphenoxy)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C406-0089 |
| Compound Name: | 4-{[8-(4-tert-butylphenoxy)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C25 H25 N5 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4836 |
| logD: | 5.4836 |
| logSw: | -5.4513 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.809 |
| InChI Key: | QQKMLPXZQTVOCA-UHFFFAOYSA-N |