ethyl [6-carbamoyl-2-(3-fluorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [6-carbamoyl-2-(3-fluorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
ethyl [6-carbamoyl-2-(3-fluorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | G656-1018 |
| Compound Name: | ethyl [6-carbamoyl-2-(3-fluorophenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 453.4 |
| Molecular Formula: | C22 H17 F2 N5 O4 |
| Smiles: | CCOC(CN1C(N(c2ccc(cc2)F)c2c1c(C(N)=O)nc(c1cccc(c1)F)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7399 |
| logD: | 3.7399 |
| logSw: | -4.1127 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.237 |
| InChI Key: | XATAXUOUEQYQES-UHFFFAOYSA-N |