ethyl [6-carbamoyl-2-(2-chlorophenyl)-9-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [6-carbamoyl-2-(2-chlorophenyl)-9-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
ethyl [6-carbamoyl-2-(2-chlorophenyl)-9-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | G656-0726 |
| Compound Name: | ethyl [6-carbamoyl-2-(2-chlorophenyl)-9-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 495.92 |
| Molecular Formula: | C24 H22 Cl N5 O5 |
| Smiles: | CCOC(CN1C(N(c2ccc(cc2)OCC)c2c1c(C(N)=O)nc(c1ccccc1[Cl])n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5499 |
| logD: | 3.5499 |
| logSw: | -3.8258 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.36 |
| InChI Key: | WOTKMSSRSNQWBA-UHFFFAOYSA-N |