ethyl [6-carbamoyl-9-(3,4-dimethylphenyl)-8-oxo-2-(2,4,6-trimethylphenyl)-8,9-dihydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [6-carbamoyl-9-(3,4-dimethylphenyl)-8-oxo-2-(2,4,6-trimethylphenyl)-8,9-dihydro-7H-purin-7-yl]acetate
ethyl [6-carbamoyl-9-(3,4-dimethylphenyl)-8-oxo-2-(2,4,6-trimethylphenyl)-8,9-dihydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | G656-1307 |
| Compound Name: | ethyl [6-carbamoyl-9-(3,4-dimethylphenyl)-8-oxo-2-(2,4,6-trimethylphenyl)-8,9-dihydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 487.56 |
| Molecular Formula: | C27 H29 N5 O4 |
| Smiles: | CCOC(CN1C(N(c2ccc(C)c(C)c2)c2c1c(C(N)=O)nc(c1c(C)cc(C)cc1C)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5231 |
| logD: | 5.5231 |
| logSw: | -5.3432 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.237 |
| InChI Key: | UXPBURABWMLJOB-UHFFFAOYSA-N |