ethyl [3-(4-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [3-(4-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
ethyl [3-(4-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | V021-4847 |
| Compound Name: | ethyl [3-(4-fluorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 372.35 |
| Molecular Formula: | C18 H17 F N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(Cn1cnc2c1C(N(CC=C)C(N2c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4107 |
| logD: | 1.4107 |
| logSw: | -2.0442 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.955 |
| InChI Key: | JCQLUFPXOCXBEP-UHFFFAOYSA-N |