2-{[3-(2-methoxyphenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(2-methoxyphenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
2-{[3-(2-methoxyphenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V025-9222 |
| Compound Name: | 2-{[3-(2-methoxyphenyl)-1-(3-methylbutyl)-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)CCN1C(c2c(ncn2Cc2ccccc2C#N)N(C1=O)c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6736 |
| logD: | 3.6736 |
| logSw: | -3.9019 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.91 |
| InChI Key: | NAIAOXHVZRRDJH-UHFFFAOYSA-N |