ethyl 2-{3-(4-fluorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}propanoate
Chemical Structure Depiction of
ethyl 2-{3-(4-fluorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}propanoate
ethyl 2-{3-(4-fluorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}propanoate
Compound characteristics
| Compound ID: | V016-6904 |
| Compound Name: | ethyl 2-{3-(4-fluorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}propanoate |
| Molecular Weight: | 430.43 |
| Molecular Formula: | C21 H23 F N4 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C(C)n1cnc2c1C(N(CC1CCCO1)C(N2c1ccc(cc1)F)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7413 |
| logD: | 1.7413 |
| logSw: | -2.0527 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.366 |
| InChI Key: | SVHATJAOVSMHMA-UHFFFAOYSA-N |