2-(4-bromophenyl)-9-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
2-(4-bromophenyl)-9-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
2-(4-bromophenyl)-9-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | G656-0551 |
| Compound Name: | 2-(4-bromophenyl)-9-(4-ethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 454.28 |
| Molecular Formula: | C20 H16 Br N5 O3 |
| Smiles: | [H]N1C(N(c2ccc(cc2)OCC)c2c1c(C(N)=O)nc(c1ccc(cc1)[Br])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1497 |
| logD: | 4.1121 |
| logSw: | -4.2917 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.734 |
| InChI Key: | KAVSPDLENJHNII-UHFFFAOYSA-N |