9-(3-methoxyphenyl)-7-methyl-8-oxo-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(3-methoxyphenyl)-7-methyl-8-oxo-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
9-(3-methoxyphenyl)-7-methyl-8-oxo-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | C429-1045 |
| Compound Name: | 9-(3-methoxyphenyl)-7-methyl-8-oxo-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 443.38 |
| Molecular Formula: | C21 H16 F3 N5 O3 |
| Smiles: | CN1C(N(c2cccc(c2)OC)c2c1c(C(N)=O)nc(c1ccc(cc1)C(F)(F)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3549 |
| logD: | 4.3549 |
| logSw: | -4.6758 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.387 |
| InChI Key: | OVAZUXPSZOLCHQ-UHFFFAOYSA-N |