4-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzonitrile
Chemical Structure Depiction of
4-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzonitrile
4-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzonitrile
Compound characteristics
| Compound ID: | C406-0074 |
| Compound Name: | 4-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzonitrile |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C21 H16 Cl N5 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2[Cl])Oc2ccc(C#N)cc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3107 |
| logD: | 4.3107 |
| logSw: | -4.5096 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.809 |
| InChI Key: | VHUIWJKQHMAFJU-UHFFFAOYSA-N |