methyl 4-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate
Chemical Structure Depiction of
methyl 4-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate
methyl 4-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate
Compound characteristics
| Compound ID: | 8015-0529 |
| Compound Name: | methyl 4-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate |
| Molecular Weight: | 420.42 |
| Molecular Formula: | C22 H20 N4 O5 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2)Oc2ccc(cc2)C(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1255 |
| logD: | 4.1255 |
| logSw: | -4.3645 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.926 |
| InChI Key: | FQZZIYUOEDDWEU-UHFFFAOYSA-N |