1-benzyl-3-(4-chlorophenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-benzyl-3-(4-chlorophenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
1-benzyl-3-(4-chlorophenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-0540 |
| Compound Name: | 1-benzyl-3-(4-chlorophenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 484.94 |
| Molecular Formula: | C27 H21 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(Cn1cnc2c1C(N(Cc1ccccc1)C(N2c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4705 |
| logD: | 4.4705 |
| logSw: | -4.6971 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.521 |
| InChI Key: | XJGIKEWRWXSJNS-UHFFFAOYSA-N |