ethyl {3-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
ethyl {3-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
ethyl {3-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | V022-4658 |
| Compound Name: | ethyl {3-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 456.86 |
| Molecular Formula: | C22 H18 Cl F N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(Cn1cnc2c1C(N(Cc1ccc(cc1)F)C(N2c1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1681 |
| logD: | 3.1681 |
| logSw: | -3.2563 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.705 |
| InChI Key: | QUDBFORSYOTZOR-UHFFFAOYSA-N |