3-(2-chlorophenyl)-7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2-chlorophenyl)-7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
3-(2-chlorophenyl)-7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-0443 |
| Compound Name: | 3-(2-chlorophenyl)-7-[2-(4-chlorophenyl)-2-oxoethyl]-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 485.37 |
| Molecular Formula: | C24 H22 Cl2 N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2CC(c2ccc(cc2)[Cl])=O)N(C1=O)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5672 |
| logD: | 4.5672 |
| logSw: | -4.4916 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.47 |
| InChI Key: | YYPZAMXRRCZMLB-UHFFFAOYSA-N |