4-{[8-(2-chlorophenoxy)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[8-(2-chlorophenoxy)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
4-{[8-(2-chlorophenoxy)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C406-0090 |
| Compound Name: | 4-{[8-(2-chlorophenoxy)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C21 H16 Cl N5 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(C#N)cc2)Oc2ccccc2[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.978 |
| logD: | 3.978 |
| logSw: | -4.3934 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.895 |
| InChI Key: | BDCOOOUDBXTMEW-UHFFFAOYSA-N |