ethyl [1-benzyl-3-(3-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [1-benzyl-3-(3-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
ethyl [1-benzyl-3-(3-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | V012-6967 |
| Compound Name: | ethyl [1-benzyl-3-(3-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 422.41 |
| Molecular Formula: | C22 H19 F N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(Cn1cnc2c1C(N(Cc1ccccc1)C(N2c1cccc(c1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5751 |
| logD: | 2.5751 |
| logSw: | -2.7068 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.705 |
| InChI Key: | XHJJRXAYPGMQFJ-UHFFFAOYSA-N |