7-[2-(4-chlorophenyl)-2-oxoethyl]-1-[(2-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(4-chlorophenyl)-2-oxoethyl]-1-[(2-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
7-[2-(4-chlorophenyl)-2-oxoethyl]-1-[(2-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-4613 |
| Compound Name: | 7-[2-(4-chlorophenyl)-2-oxoethyl]-1-[(2-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 530.99 |
| Molecular Formula: | C29 H24 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(Cc2ccccc2F)C(c2c1ncn2CC(c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5257 |
| logD: | 5.5257 |
| logSw: | -6.1629 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.521 |
| InChI Key: | KHCPVCSZCKBDHL-UHFFFAOYSA-N |