methyl 4-({7-[(4-cyanophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzoate
Chemical Structure Depiction of
methyl 4-({7-[(4-cyanophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzoate
methyl 4-({7-[(4-cyanophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzoate
Compound characteristics
| Compound ID: | C406-0088 |
| Compound Name: | methyl 4-({7-[(4-cyanophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzoate |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C23 H19 N5 O5 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(C#N)cc2)Oc2ccc(cc2)C(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7799 |
| logD: | 3.7799 |
| logSw: | -4.1301 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.982 |
| InChI Key: | KGOVMDCRPCCUBG-UHFFFAOYSA-N |