7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(2-phenylethyl)-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-phenylethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(2-phenylethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-7799 |
| Compound Name: | 7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(2-phenylethyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 527.02 |
| Molecular Formula: | C30 H27 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(CCc2ccccc2)C(c2c1ncn2CC(c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5394 |
| logD: | 5.5394 |
| logSw: | -6.0958 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.5 |
| InChI Key: | KETGQTYVIBLSFX-UHFFFAOYSA-N |