ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate
Chemical Structure Depiction of
ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate
ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate
Compound characteristics
| Compound ID: | 8016-4337 |
| Compound Name: | ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate |
| Molecular Weight: | 502.45 |
| Molecular Formula: | C24 H21 F3 N4 O5 |
| Smiles: | CCOC(c1ccc(cc1)Oc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3929 |
| logD: | 5.3929 |
| logSw: | -5.5301 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.506 |
| InChI Key: | AUIXGUJTVAKULZ-UHFFFAOYSA-N |