ethyl [6-carbamoyl-9-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [6-carbamoyl-9-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
ethyl [6-carbamoyl-9-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Compound characteristics
Compound ID: | G656-1326 |
Compound Name: | ethyl [6-carbamoyl-9-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate |
Molecular Weight: | 475.5 |
Molecular Formula: | C25 H25 N5 O5 |
Smiles: | CCOC(CN1C(N(c2ccc(C)c(C)c2)c2c1c(C(N)=O)nc(c1ccc(cc1)OC)n2)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7048 |
logD: | 4.7048 |
logSw: | -4.5236 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 100.78 |
InChI Key: | VFFHEVBQFGSXHX-UHFFFAOYSA-N |