ethyl [9-(2H-1,3-benzodioxol-5-yl)-6-carbamoyl-2-(3-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [9-(2H-1,3-benzodioxol-5-yl)-6-carbamoyl-2-(3-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
ethyl [9-(2H-1,3-benzodioxol-5-yl)-6-carbamoyl-2-(3-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | G656-0439 |
| Compound Name: | ethyl [9-(2H-1,3-benzodioxol-5-yl)-6-carbamoyl-2-(3-fluorophenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 479.42 |
| Molecular Formula: | C23 H18 F N5 O6 |
| Smiles: | CCOC(CN1C(N(c2ccc3c(c2)OCO3)c2c1c(C(N)=O)nc(c1cccc(c1)F)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6667 |
| logD: | 3.6667 |
| logSw: | -4.0277 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.352 |
| InChI Key: | MYNGBHRNZKYOCG-UHFFFAOYSA-N |