methyl 4-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzoate
Chemical Structure Depiction of
methyl 4-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzoate
methyl 4-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzoate
Compound characteristics
| Compound ID: | 8013-1858 |
| Compound Name: | methyl 4-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzoate |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C23 H22 N4 O5 |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2Oc2ccc(cc2)C(=O)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5488 |
| logD: | 4.5488 |
| logSw: | -4.4416 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.926 |
| InChI Key: | HDGLTONWMJPUQZ-UHFFFAOYSA-N |