7-[2-(4-chlorophenyl)-2-oxoethyl]-3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(4-chlorophenyl)-2-oxoethyl]-3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[2-(4-chlorophenyl)-2-oxoethyl]-3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V016-6971 |
| Compound Name: | 7-[2-(4-chlorophenyl)-2-oxoethyl]-3-(4-fluorophenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 482.9 |
| Molecular Formula: | C24 H20 Cl F N4 O4 |
| Salt: | not_available |
| Smiles: | C1CC(CN2C(c3c(ncn3CC(c3ccc(cc3)[Cl])=O)N(C2=O)c2ccc(cc2)F)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5171 |
| logD: | 2.5171 |
| logSw: | -2.9179 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.176 |
| InChI Key: | VRFVLKKBIIDMNG-LJQANCHMSA-N |