2-(5-bromo-2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
2-(5-bromo-2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
2-(5-bromo-2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | C926-0309 |
| Compound Name: | 2-(5-bromo-2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 454.28 |
| Molecular Formula: | C20 H16 Br N5 O3 |
| Smiles: | Cc1cccc(c1)N1C(Nc2c(C(N)=O)nc(c3cc(ccc3OC)[Br])nc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2756 |
| logD: | 3.2682 |
| logSw: | -3.6251 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.241 |
| InChI Key: | QKSLQOBJZYMSKS-UHFFFAOYSA-N |